Molecular Qubit Database

Search the table below for various molecular qubits described in Mullin et al. Systems-Chart Approach to the Design of Spin Relaxation Times in Molecular Qubits (2024).

Molecular qubit relaxation time data set contain the names, composition, and experimental relaxation times from the literature.

Additional information about the geometry of the molecules, computed from experimental structures files, is also included.
Structure files are available on GitHub.

If your molecular qubit color center is missing, please contact James Rondinelli to have your entry added. We understand that new molecules and materials are discovered every year.

molecule_name	molecule_abbreviation	spin	qubit_concentration	metal	ligand	counterIon	chemForm	chemFormWCounterIon	Solvent	type	T1_10	T1_80	T2_10	T2_80	n_neighbors	angles_mean	angles_min	angles_max	tau_4_prime	tau_4	tau_5	solvent_num	Paper_URL	Name_of_Paper
	(Et3NH)2[V(C6H4O2)3]	0.5	1mM	V	C6H4O2	(Et3NH)2	C18H12O6V	C30H50N2O6V	o-terphenyl	table	8400	1.46	2.25	0.77	6	95.14944925	25.47835505	163.9862416	0	0	0	1	https://pubs.rsc.org/en/content/articlelanding/2019/sc/c8sc04122a#!divAbstract	Counterion influence on dynamic spin properties in a V(IV) complex
	(n-Hex3NH)2[V(C6H4O2)3]	0.5	1mM	V	C6H4O2	(n-Hex3NH)2	C18H12O6V	C54H92N2O6V	o-terphenyl	table	12100	1.79	4.802	1.13	6	95.20854264	25.49482922	166.5903227	0	0	0	1	https://pubs.rsc.org/en/content/articlelanding/2019/sc/c8sc04122a#!divAbstract	Counterion influence on dynamic spin properties in a V(IV) complex
	(n-Oct3NH)2[V(C6H4O2)3]	0.5	1mM	V	C6H4O2	(n-Oct3NH)2	C18H12O6V	C66H120N2O6V	o-terphenyl	table	8600	1.96	4.76	1.15								1	https://pubs.rsc.org/en/content/articlelanding/2019/sc/c8sc04122a#!divAbstract	Counterion influence on dynamic spin properties in a V(IV) complex
	(n-Bu3NH)2[V(C6H4O2)3]	0.5	1mM	V	C6H4O2	(n-Bu3NH)2	C18H12O6V	C50H84N2O8V	o-terphenyl	table	10800	2.13	4.67	1.14	6	95.33923326	25.64148807	166.8156166	0	0	0	1	https://pubs.rsc.org/en/content/articlelanding/2019/sc/c8sc04122a#!divAbstract	Counterion influence on dynamic spin properties in a V(IV) complex
vanadyl 5-(4-carboxyphenyl)-10,15,20-tritolylporphyrin	VOTTP-COOH	0.5	0.388888889	V	C49O2H39N4		VC49O2H39N4	VC49O2H39N4	ZnTTP	WPD			6.280834073	3.833261129	8	102.7517157	27.85242182	179.783367	0	0	0	1	https://link.springer.com/article/10.1007/BF03162630	Effect of molecular motion on electron spin phase memory times for copper(II) complexes in doped solids
Cu(II) tetratolylporphyrin	CuTTP	0.5	0.388888889	Cu	C48H38N4		CuC48H38N4	CuC48H38N4	ZnTTP	WPD			3.286211699	1.985108531	6	100.2248341	30.09852241	177.5544582	0	0	0	1	https://link.springer.com/article/10.1007/BF03162630	Effect of molecular motion on electron spin phase memory times for copper(II) complexes in doped solids
Ag(II) tetratolylporphyrin	AgTTP	0.5	0.388888889	Ag	C48H38N4		AgC48H38N4	AgC48H38N4	H2TTP	WPD			3.286211699	0.82900007	8	102.7517157	27.85242182	179.783367	0	0	0	1	https://link.springer.com/article/10.1007/BF03162630	Effect of molecular motion on electron spin phase memory times for copper(II) complexes in doped solids
Cu(II) bis(diethyldithiocarbamate)	Cu(dtc)2	0.5	0.388888889	Cu	C5H10NS2		C10H20CuN2S4	C10H20CuN2S4	Ni(dtc)2, solid	WPD			0.800174086	1.064212046	6	108	30.00072778	180	0	0	0	1	https://link.springer.com/article/10.1007/BF03162630	Effect of molecular motion on electron spin phase memory times for copper(II) complexes in doped solids
Cu(II) bis(diethyldithiophosphate)	Cu(Et2dtp)2	0.5	0.388888889	Cu	C4H11O2PS2		CuC8H22O4P2S2	CuC8H22O4P2S2	Ni(Et2dtp)2	WPD			3.286211699	1.736032766	6	89.44441381	8.794831635	180	0	0	0	1	https://link.springer.com/article/10.1007/BF03162630	Effect of molecular motion on electron spin phase memory times for copper(II) complexes in doped solids
Cu(II) bis(diphenyldithiophosphate)	Cu(Ph2dtp)2	0.5	0.388888889	Cu	C12H10PS2		CuC24H20P2S2	CuC24H20P2S2	Ni(Ph2dtp)2	WPD			1.750977094	3.228948089								1	https://link.springer.com/article/10.1007/BF03162630	Effect of molecular motion on electron spin phase memory times for copper(II) complexes in doped solids
bis(acetylacetonate)oxovanadium(IV)	(VO-(acac)2)	0.5	5mM	V	C5H8O2		C10H16O5V	C10H16O5V	1:1 water :glycerol	WPD	8129.812084	11.51556141			6	100.6032569	25.94139821	149.8076402	0	0	0	1	https://pubs.acs.org/doi/abs/10.1021/bk-2007-0974.ch026	Electron Spin Lattice Relaxation of V(IV) Complexes in Glassy Solutions between 15 and 70 K
bis(maltolato)oxovanadium(IV)	(VO(maltol)2)	0.5	2.5 mM	V	C6H5O3		C12H10O7V	C12H10O7V	1:1 water :glycerol	WPD	56436.51576	15.51867754			5	94.60923427	25.00972692	146.8558828	0	0	0	1	https://pubs.acs.org/doi/abs/10.1021/bk-2007-0974.ch026	Electron Spin Lattice Relaxation of V(IV) Complexes in Glassy Solutions between 15 and 70 K
Cesium N,N'-ethylenebis(salicylideneiminato-5'-sulfonato)-oxovanadium(IV)	Cs2[VO(salen-SO3)(H2O)]	0.5	12.5 mM	V	O4C7SNH	Cs	O10C14S2N2H4VCs	O10C14S2N2H4VCs	1:1 water :glycerol	WPD	8569.771733	37.4787369										1	https://pubs.acs.org/doi/abs/10.1021/bk-2007-0974.ch026	Electron Spin Lattice Relaxation of V(IV) Complexes in Glassy Solutions between 15 and 70 K
bis(Nâ€”hydroxyiminodiacetato)oxovanadium(IV)	(Ca[V(hida)2])	0.5	12.5 mM	V	O5H4C4N	Ca	O10H8C8N2CaV	O10H8C8N2CaV	1:1 water :glycerol	WPD	101103.7972	26.26342358			8	96.53658847	22.91190136	157.3241746	0	0	0	1	https://pubs.acs.org/doi/abs/10.1021/bk-2007-0974.ch026	Electron Spin Lattice Relaxation of V(IV) Complexes in Glassy Solutions between 15 and 70 K
	Cr(NO)(CN)53-	0.5	0.9 mM	Cr	CN		CrNOC5N5	CrNOC5N5	1:1 water/glycerol	WPD	524159.9531	17.35597211			6	106.8180194	84.21389247	178.0219674	0	0	0	1	https://pubs.acs.org/doi/full/10.1021/ic981063+	Electron Spin Relaxation in Chromiumâˆ’Nitrosyl Complexes
	Cr(NO)(EHBA)+	0.5	0.26 mM	Cr	C6H10O3		C12H26O8CrN	C12H26O8CrN	1:1 water/glycerol	WPD	38528.02836	11.80245755		3.305434289								1	https://pubs.acs.org/doi/full/10.1021/ic981063+	Electron Spin Relaxation in Chromiumâˆ’Nitrosyl Complexes
	Cr(NO)(EHBA)2	0.5	0.47 mM	Cr	C6H10O3		C6O7H18CrN	C6O7H18CrN	1:1 water/glycerol	WPD	26993.39831	13.29162696										1	https://pubs.acs.org/doi/full/10.1021/ic981063+	Electron Spin Relaxation in Chromiumâˆ’Nitrosyl Complexes
	Cr(NO)(H2O)52+	0.5	0.39 mM	Cr	H2O		H10O6NCr	H10O6NCr	1:1 water/glycerol	WPD	53576.8293	35.33373266	4.557624696	3.730118577	6	106.257276	82.06569269	177.0701249	0	0	0	1	https://pubs.acs.org/doi/full/10.1021/ic981063+	Electron Spin Relaxation in Chromiumâˆ’Nitrosyl Complexes
oxoâˆ’chromium(V) bis(2-ethyl-2-hydroxybutyrate)	CrO(EHBA)2-	0.5	1 mM	Cr	C6H10O3		C12H20O7Cr	C12H20O7Cr	1:1 water/glycerol	WPD	40847.93104	22.66700864	3.469518006	1.50762471	5	106.2420732	83.30661037	158.6528034	0	0	0.076361365	1	https://pubs.acs.org/doi/full/10.1021/ic981063+	Electron Spin Relaxation in Chromiumâˆ’Nitrosyl Complexes
Vanadium(II) oxide (VO2+ but disolved in water)	VO(D2O)5	0.5	1.2 mM	V	D2O		VO6H10	VO6H10	1:1 D20:glycerol-ds,	WPD		6.715563284	75.0231004	3.873856471	6	105.2464768	79.97404439	175.1522388	0	0	0	3	https://www.sciencedirect.com/science/article/pii/S109078079891610X?via%3Dihub	Solvent and Temperature Dependence of Spin Echo Dephasingfor Chromium(V) and Vanadyl Complexes in Glassy Solution
Vanadium(II) oxide (VO2+ but disolved in water)	VO(H2O)5	0.5	.3 mM	V	H2O		VO6H10	VO6H10	1:1 H20:glycerol	WPD	101446.4117	7.633431369	5.31E+00	3.627069071	6	105.2464768	79.97404439	175.1522388	0	0	0	1	https://www.sciencedirect.com/science/article/pii/S109078079891610X?via%3Dihub	Solvent and Temperature Dependence of Spin Echo Dephasingfor Chromium(V) and Vanadyl Complexes in Glassy Solution
	Cu(aq)2+,	0.5	1-5 mM	Cu			Cu	Cu	1:1 H2O/glycerol	WPD	3802	0.26	3.16	0.23								1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
Copper 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate	CuEDTA	0.5	1-5 mM	Cu	C10H14N2O8		C10Cu1H12N2O8	C10Cu1H12N2O8	1:1 H2O/glycerol	WPD	2704.268629	0.38	3.09	0.35	6	104.7642171	73.62034208	176.1797656	0	0	0	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
Bis(2-N-1-adamantyl-pyrrolylcarbaldimine)copper(II)	CuN4 complexes (R = 1-adamantyl)	0.5	1-5 mM	Cu	C15N2H16		C30H38N4Cu	C30H38N4Cu	Toluene/CHCl3	WPD	1738	0.49	3.63	0.25								1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
copper(II) tetraimidazole	CuIM4	0.5	1-5 mM	Cu			C12H16Cl2CuN6O8	C12H16Cl2CuN6O8	1:1 H2O/ethylene glycol	WPD	2455	0.52			5	85.85228114	33.6995331	178.6602224	0	0	0.088841426	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
	Cu-S100A12	0.5	1-5 mM	Cu			C24H22N4Cu	C24H22N4Cu	Buffer/glycerol	WPD	1175	0.65										1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
	CuN4 complexes, (R =tert-butyl)	0.5	1-5 mM	Cu	tert-butylC5N2		C18H18N4Cu	C18H18N4Cu	Toluene/CHCl3	WPD	724	0.79	3.09	0.31	4	111.2198074	84.56624064	142.1504697	0.58317671	0.569092595	0	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
	Cu-S100B	0.5	1-5 mM	Cu					Buffer/glycerol	WPD		0.85										1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
copper(II) hydroxide	Cu(OH)42-	0.5	1-5 mM	Cu			CuH8O4	CuH8O4	3 M NaOH(aq)	WPD	2951	0.91	2.4	0.39	4	100.00258	24.81799974	175.2387375	0	0	0	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
	Cu/Ca-S100B	0.5	1-5 mM	Cu					Buffer/glycerol	WPD	4898	1.15										1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
copper(II) tetra-2-methylimidazole	CuMeIM4	0.5	1-5 mM	Cu			C13H19N2Cu	C13H19N2Cu	1:1 H2O/ethylene glycol	WPD	3388	1.35										1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
	PrP(23–28, 57–91)	0.5	1-5 mM	Cu					Buffer/glycerol	WPD		1.62										1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
Bis(2-N-methylpyrrolylcarbaldimine)copper(II)	CuN4 complexes, (R = methyl)	0.5	1-5 mM	Cu	C6N2H3		C12H6N4Cu	C12H6N4Cu	Toluene/CHCl3	WPD	3631	2.29	3.89	0.63								1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
bis-(H-pyrrolylcarbaldimine)copper(II)	CuN4 complexes, (R = H)	0.5	1-5 mM	Cu	C5N2H		C10H2N4Cu	C10H2N4Cu	Toluene/CHCl3	WPD	3548	3.02	3.47	0.78	4	119.9999999	82.44123201	180	8.70E-09	6.06E-09	0	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
Bis(n-butylpyrrolylcarbaldimine)copper(II)	CuN4 complexes, (R =n-butyl)	0.5	1-5 mM	Cu	C9N2H9		C18H18N4Cu	C18H18N4Cu	Toluene/CHCl3	WPD	2188	3.55	2.69	0.89	4	111.2182687	84.59489917	142.1211955	0.583293573	0.569300213	0	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
Bis(2-N-diphenylmethylpyrrolylcarbaldimine)copper(II)	CuN4 complexes, (R = diphenylmethyl) or	0.5	1-5 mM	Cu	C22N3H19		C36H30CuN4	C36H30CuN4	Toluene/CHCl3	WPD	2951	4.68	4.07	0.95	4	114.6477811	82.52612896	161.9764182	0.280880752	0.273207506	0	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
Bis(2-N-2-adamantyl-pyrrolylcarbaldimine)copper(II)	CuN4 complexes, (R = 2-adamantyl) or	0.5	1-5 mM	Cu	C15N2H16		C30H38N4Cu	C30H38N4Cu	Toluene/CHCl3	WPD	2512	5.25										1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
bis(diethyldithiocarbamato)copper(II)	Cu(dtc)2	0.5	1-5 mM	Cu	C5H10NS2		C10H20CuN2S4	C10H20CuN2S4	Toluene/CHCl3	WPD	169.7328	7.08	2.138730921	1.160657197	6	108	30.00072778	180	0	0	0	1	https://www.sciencedirect.com/science/article/pii/S1064185885799718	Temperature and Orientation Dependence of Electron-Spin RelaxationRates for Bis ( diethyldithiocarbamato ) copper ( II )
bis(diethyldithiocarbamato)copper(II)	Cu(dtc)2	0.5	1-5 mM	Cu	C5H10NS2		C10H20CuN2S4	C10H20CuN2S4	Ni(dtc)2, solid	WPD	174.389	6.16983	0.84406	0.86724	6	108	30.00072778	180	0	0	0	1	https://www.sciencedirect.com/science/article/pii/S1064185885799718	Temperature and Orientation Dependence of Electron-Spin RelaxationRates for Bis ( diethyldithiocarbamato ) copper ( II )
	Cu(hfac)2-(Me2-bipy)	0.5	1-5 mM	Cu					Toluene/CHCl3	WPD	178				6	108	30.00072778	180	0	0	0	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
Bis(2-N-benzyl-pyrrolylcarbaldimine)copper(II)	CuN4 complexes, (R = benzyl) or	0.5	1-5 mM	Cu			C24H14N4Cu	C24H14N4Cu	Toluene/CHCl3	WPD	1202				4	114.2659842	82.47608036	172.5231929	0.345369902	0.272577982	0	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
(tetraphenylporphyrinato)Cu(II)	CuTTP	0.5	1-5 mM	Cu			C44H28CuN4	C44H28CuN4	Toluene/CHCl3	WPD	1007.691699				4	114.51589	84.53468813	168.7648553	0.232722236	0.210409031	0	1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
	HGGGW	0.5	1-5 mM	Cu					Buffer/glycerol	WPD	1413											1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
bis(hexafluoroacetylacetonato)Cu(II)	ZnTTPbipy-Cu(hfac)2f	0.5	1-5 mM	Cu					Toluene/CHCl3	WPD	529.6977076											1	https://www.sciencedirect.com/science/article/pii/S1090780705003927?via%3Dihub	Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120Â K
(Nitrido Cr(V)tetratolylporphyrin)	CrNTTP	0.5	1 mM	Cr	C12H9N		C48 H36 Cr N5	C48 H36 Cr N5	9:1 toluene:THF	WPD	7694.036072	47.37249951	4.18590674	3.336266811	5	107.0390676	87.07956663	158.9411551	0	0	0	1	https://link.springer.com/article/10.1007/BF03162611	Electron spin relaxation rates for nitridochromium(V) tetratolylporphyrin and nitridochromium(V) octaethylporphyrin in Frozen solution
(Nitrido Cr(V)tetratolylporphyrin)	CrNTTP	0.5	1 mM	Cr	C12H9N		C48 H36 Cr N5	C48 H36 Cr N5	toluene	WPD	8345.355708	37.05616127			5	107.0390676	87.07956663	158.9411551	0	0	0.015171346	1	https://link.springer.com/article/10.1007/BF03162611	Electron spin relaxation rates for nitridochromium(V) tetratolylporphyrin and nitridochromium(V) octaethylporphyrin in Frozen solution
(nitrido Cr(V)octaethylporphyrin)	CrNOEP	0.5	1 mM	Cr	C36H44N4		C36H44N5Cr	C36H44N5Cr	9:1 toluene:THF	WPD			2.210336157	2.336904694								1	https://link.springer.com/article/10.1007/BF03162611	Electron spin relaxation rates for nitridochromium(V) tetratolylporphyrin and nitridochromium(V) octaethylporphyrin in Frozen solution
potassium bis(2-hydroxy-2-methylbutyrato)oxochromate(V)	K[ CrO( HMBA)2]	0.5	1 mM	Cr	C5H10O3	K	C10H16CrO7	C10 H16 Cr O7 K	1: 1 water glycerol	WPD	47437.49754	3.775944159		0.199505187								1	https://www.sciencedirect.com/science/article/pii/002223649290111J?via%3Dihub	Electron-spin relaxation times of chromium(V)
Sodium bis(l-hydroxycyclohexanecarboxylato)oxochromate(V)	Na [ CrO( HCA)2]	0.5	1 mM	Cr	C7H12O2	Na	C14H20CrO7	C14H20CrNa07	1: 1 water glycerol	WPD	105507.491	21.0269035										1	https://www.sciencedirect.com/science/article/pii/002223649290111J?via%3Dihub	Electron-spin relaxation times of chromium(V)
Sodium bis[2-ethyl-2-hydroxybutanoato(2-))oxochromate(V)	Na[CrO(HEBA)2]	0.5	0.5 mM	Cr	C6H12O3	Na	C12H20CrO7	C12 H20 Cr O7 Na	1: 1 water glycerol	WPD	43326.85799			0.114631146	5	106.2420732	83.30661037	158.6528034	0	0	0.076361365	1	https://www.sciencedirect.com/science/article/pii/002223649290111J?via%3Dihub	Electron-spin relaxation times of chromium(V)
Sodium bis[(2-hydroxyisobutyric )oxochromate(V)]	Na[CrO(HIBA)2]	0.5	0.5 mM	Cr	C4H8O3	Na	CrO7H16C8	CrO7H16C8Na	1: 1 water glycerol	WPD	70077.08479	0.455195432		0.213207615								1	https://www.sciencedirect.com/science/article/pii/002223649290111J?via%3Dihub	Electron-spin relaxation times of chromium(V)
	(Ph4P)2[VO(C3S4O)2](4)	0.5	0.5 mM	V	C3S4O	(Ph4P)2	C6S8O3V	C54H40O3P2S8V	1:1 DMF:Tol	WPD	20654	51.05	2.6	0.68	5	106.3327117	83.18663645	148.8891068	0	0	0.000871545	1	https://pubs.acs.org/doi/abs/10.1021/jacs.6b08467	Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits
	(Ph4P)2[VO(C3S4O)2](4)	0.5	0.5 mM	V	C3S4O	(Ph4P)2	C6S8O3V	C54H40O3P2S8V	1:1 DMF-d7:Tol-d8	WPD	16259	52.48	4.87	2.3	5	106.3327117	83.18663645	148.8891068	0	0	0.000871545	2	https://pubs.acs.org/doi/abs/10.1021/jacs.6b08467	Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits
	(Ph4P)2[VO(C3S5)2](3)	0.5	0.5 mM	V	Î±-C3S5	(Ph4P)2	C6S10OV	C54H40OP2S10V	1:1 DMF:Tol	WPD	16331	55.85	2.95	0.69	5	106.1310264	83.59695939	150.7281339	0	0	0.02312496	1	https://pubs.acs.org/doi/abs/10.1021/jacs.6b08467	Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits
	(Ph4P)2[VO(C3S5)2](3)	0.5	0.5 mM	V	Î±-C3S5	(Ph4P)2	C6S10OV	C54H40OP2S10V	1:1 DMF-d7:Tol-d8	WPD	18113	61.09	4.76	2.45	5	106.1310264	83.59695939	150.7281339	0	0	0.02312496	2	https://pubs.acs.org/doi/abs/10.1021/jacs.6b08467	Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits
	(Ph4P)2[VO(C3S5)2](2)	0.5	0.5 mM	V	Î²-C3S5	(Ph4P)2	C6S10OV	C54H40OP2S10V	1:1 DMF:Tol	WPD	18197	76.38	2.3	0.682	5	106.300021	84.07978902	148.606734	0	0	0.001012905	1	https://pubs.acs.org/doi/abs/10.1021/jacs.6b08467	Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits
	(Ph4P)2[VO(C3S5)2](2)	0.5	0.5 mM	V	Î²-C3S5	(Ph4P)2	C6S10OV	C54H40OP2S10V	1:1 DMF-d7:Tol-d8	WPD	19724	76.74	4.57	2.59	5	106.300021	84.07978902	148.606734	0	0	0.001012905	2	https://pubs.acs.org/doi/abs/10.1021/jacs.6b08467	Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits
	(Ph4P)2[VO(C8S8)2](1)	0.5	0.5 mM	V	C8S8	(Ph4P)3	C16S16OV	C65H43O2P2S16V	1:1 DMF:Tol	WPD	23768	83.37	3.2	0.776	5	105.3294654	80.69113622	141.2017497	0	0	0.001816275	1	https://pubs.acs.org/doi/abs/10.1021/jacs.6b08467	Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits
	(Ph4P)2[VO(C8S8)2](1)	0.5	0.5 mM	V	C8S8	(Ph4P)2	C16S16OV	C65H43O2P2S16V	1:1 DMF-d7:Tol-d8	WPD	21281	88.51	3.5	2.71	5	105.3294654	80.69113622	141.2017497	0	0	0.001816275	2	https://pubs.acs.org/doi/abs/10.1021/jacs.6b08467	Long Coherence Times in Nuclear Spin-Free Vanadyl Qubits
	(Ph4P)2[V(C3S5)3](2)	0.5	0.5 mM	V	Î²-C3S5	(Ph4P)2	C9S15V	C57H40P2S15V	1:1 DMF/Tol	WPD	7112.135137	6.353309319	2.87	0.782	6	105.365934	83.72486257	166.304818	0	0	0	1	https://pubs.acs.org/doi/abs/10.1021/acscentsci.5b00338	Millisecond Coherence Time in a Tunable Molecular Electronic SpinQubit
	(Ph4P)2[V(C8S8)3](1)	0.5	0.5 mM	V	C8S8	(Ph4P)2	C24S24V	C81H51Cl2P2S24V	1:1 DMF/Tol	table	6606.93448	8.511380382	3.25	1.006	6	105.0648495	80.54014174	166.0364229	0	0	0	1	https://pubs.acs.org/doi/abs/10.1021/acscentsci.5b00338	Millisecond Coherence Time in a Tunable Molecular Electronic SpinQubit
	(Ph4P)2[V(C3S4O)3](4)	0.5	0.5 mM	V	C3S4O	(Ph4P)2	C9S12O3V	C58H44O4P2S12V	1:1 DMF/Tol	table	10495.42429	8.81049	2.79	0.781	6	105.0761884	79.74399129	164.4745581	0	0	0	1	https://pubs.acs.org/doi/abs/10.1021/acscentsci.5b00338	Millisecond Coherence Time in a Tunable Molecular Electronic SpinQubit
	(Ph4P)2[V(C3S5)3](3)	0.5	0.5 mM	V	Î±-C3S5	(Ph4P)2	C9S15V	C60H46OP2S15V	1:1 DMF/Tol	table	5727.96031	9.84011	2.59	0.796	6	105.2280935	78.93879817	166.9984123	0	0	0	1	https://pubs.acs.org/doi/abs/10.1021/acscentsci.5b00338	Millisecond Coherence Time in a Tunable Molecular Electronic SpinQubit
	(d20-PPh4)[Cu(mnt)2]	0.5	1 mM	Cu	S2C4N2	d20-PPh4	S4C8N4Cu	C56D40NiN4P2S4	1â€†:â€†1 d2-DCM/CS2	table	3985	5.5	20.3	3.5	4	119.9974329	87.63208039	179.9999991	0.000156984	0.000109238	0	2	https://pubs.rsc.org/en/Content/ArticleLanding/2017/CP/C6CP08161D#!divAbstract	Molecular qubits based on potentially nuclear-spin-free nickel ions
	K2[V(C9H6S8)3](3)	0.5	0.32 mM	V	C9H6S8	K2	C27H27N3S18V	C27H27K2N3S18V	45 vol % dimethylformamide-d7/toluene-d8	table	5300	7.57	6.89	2.409	6	104.8998942	79.64373861	163.5634964	0	0	0	2	https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.7b00794	Probing Nuclear Spin Effects on Electronic Spin Coherence via EPR Measurements of Vanadium(IV) Complexes
	K2[V(C7H6S6)3](2)	0.5	0.32 mM	V	C7H6S7	K2	C27H27N3S18V	C27H27K2N3S18V	45 vol % dimethylformamide-d7/toluene-d8	table	5900	10.61	7.48	2.809	6	104.8718299	79.80667066	162.7552159	0	0	0	2	https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.7b00794	Probing Nuclear Spin Effects on Electronic Spin Coherence via EPR Measurements of Vanadium(IV) Complexes
	K2[V(C5H6S4)3](1)	0.5	0.32 mM	V	C5H6S4	K2	C27H30S12V	C27H30K2S12V	45 vol % dimethylformamide-d7/toluene-d8	table	8000	13.4	7.21	2.707	6	104.7603716	80.20536622	163.0214237	0	0	0	2	https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.7b00794	Probing Nuclear Spin Effects on Electronic Spin Coherence via EPR Measurements of Vanadium(IV) Complexes
Copper;(Z)-3-oxo-1,3-diphenylprop-1-en-1-olate	[Cu(dbm)2]	0.5	1 mM	Cu	C15H11O2		C30H22O4Cu	C30H22CuO4	[Pd(dbm)2]	table	8200	2.3	6.81	1.2	6	100.1609964	22.0768824	177.958594	0	0	0	1	https://pubs.rsc.org/en/content/articlelanding/2017/CC/C6CC07813C#!divAbstract	Quantitative prediction of nuclear-spin-diffusion-limited coherence times of molecular quantum bits based on copper(II)
	[(Ph)4P]2[VO(cat)2]	0.5	1 mM	V	C6H4O2	((Ph)4P)2	C12H8O5V	C60 H48 O5 P2 V	CH2Cl2:C6H6 3:1	table	6355.980843	23.77096985	4.339257996	3.066632285	5	94.63610113	26.11340832	146.4336461	0	0	0	1	https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.7b02616	Structural Effects on the Spin Dynamics of Potential Molecular Qubits
	[(Ph)4P]2[VO(naph-cat)2]	0.5	1 mM	V	C16H12O2	((Ph)4P)3	C32H24O4	C68H52O5P2V	CH2Cl2:C6H6 3:1	WPD	5531.985996	45.97048249	5.927993907	4.815502394								1	https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.7b02616	Structural Effects on the Spin Dynamics of Potential Molecular Qubits
	VO(dpm)2	0.5	1:10 mass ratio	V	dpm		C22H38O5V	C22H38O5V	polystyrene with mass ratio 1â€†:â€†10	WPD	254	5.9	0.32	0.17	5	106.0393768	83.59852885	146.3627268	0	0	0.001933232	1	https://pubs.rsc.org/en/Content/ArticleLanding/2016/SC/C5SC04295J#!divAbstract	Quantum coherence in a processable vanadyl complex: new tools for the search of molecular spin qubits
	VO(dpm)2	0.5	1 mM	V	dpm		C22H38O5V	C22H38O5V	2:3 toluene:CH2Cl2 mixture (1sol200 mM) deuterated	WPD			2.81	1.89	5	106.0393768	83.59852885	146.3627268	0	0	0.001933232	2	https://pubs.rsc.org/en/Content/ArticleLanding/2016/SC/C5SC04295J#!divAbstract	Quantum coherence in a processable vanadyl complex: new tools for the search of molecular spin qubits
	VO(dpm)2	0.5	1 mM	V	dpm		C22H38O5V	C22H38O5V	2:3 toluene:CH2Cl2 mixture mixture (1sol200 mM) protic	WPD			2.8	2.12	5	106.0393768	83.59852885	146.3627268	0	0	0.001933232	1	https://pubs.rsc.org/en/Content/ArticleLanding/2016/SC/C5SC04295J#!divAbstract	Quantum coherence in a processable vanadyl complex: new tools for the search of molecular spin qubits
	[(Ph)4P]2[VO(dmit)2] (1)	0.5	1:20	V	C3S5	Ph4P	C6S10OV	C54 H40 O P2 S10 V	[(Ph)4P]2[MoO(dmit)2]	table	5142		3.313		5	106.1621841	83.74524264	150.8328818	0	0	0.021992817	1	https://pubs.acs.org/doi/10.1021/jacs.6b05574	Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety
	[(Ph)4P]2[VO(dmit)2] (1)	0.5	1:20	V	C3S5	Ph4P	C6S10OV	C54 H40 O P2 S10 V	[(d20-Ph)4P]2[MoO(dmit)2]	table	10640		3.799		5	106.1621841	83.74524264	150.8328818	0	0	0.021992817	2	https://pubs.acs.org/doi/10.1021/jacs.6b05574	Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety
	[(Ph)4P]2[V(dmit)3] (2)	0.5	1:20	V	C3S5	Ph4P	C9S15V	C57 H40 P2 S15 V	[(Ph)4P]2[Ti(dmit)3]	table	417		1.193		6	105.3615076	81.60576708	166.5311993	0	0	0	1	https://pubs.acs.org/doi/10.1021/jacs.6b05574	Quantum Coherence Times Enhancement in Vanadium(IV)-based Potential Molecular Qubits: the Key Role of the Vanadyl Moiety
	(Ph4P)3[Fe(C5O5)3]	2.5	1/500	Fe	C5O5	(Ph4P)3	C15O15Fe	C89 H68 Fe O17 P3	(Ph4Pd20)3[Ga(C3O5)3]	table	2.241		0.6		6	107.0222753	84.08342399	178.1521551	0	0	0	2	https://pubs.acs.org/doi/10.1021/acs.inorgchem.5b02429	Qubit Control Limited by Spinâ€“Lattice Relaxation in a Nuclear Spin-Free Iron(III) Complex
	(Ph4P)3[Fe(C5O5)3]	2.5	1/500	Fe	C5O5	(Ph4P)3	C15O15Fe	C89 H68 Fe O17 P3	(Ph4P)3[Ga(C3O5)3]	table	3.15		0.536		6	107.0222753	84.08342399	178.1521551	0	0	0	1	https://pubs.acs.org/doi/10.1021/acs.inorgchem.5b02429	Qubit Control Limited by Spinâ€“Lattice Relaxation in a Nuclear Spin-Free Iron(III) Complex
	(PPh4)2[Cu(mnt)2]	0.5	0.001 mol per	Cu	S2C4N2	(Ph4P)2	S4C8N4Cu	C59H40CuN4P2S4	(PPh4)2[Ni(mnt)2]	table	87380	30.32	9.163	7.458	4	120	89.06461963	180	0	0	0	2	https://www.nature.com/articles/ncomms6304	Room temperature quantum coherence in a potential molecular qubit
	Vanadyl Phthalocyanine (VOPc)	0.5	1:1000 molar ratio	V			C32H16N8OV	C32H16N8OV	Crystalline dispersion in titanyl phthalocyanine	WPD	6756	39.8	3	2.72	5	106.1523424	84.93710147	147.2225839	0	0	0.001052657	1	https://pubs.acs.org/doi/pdf/10.1021/jacs.5b13408	Room-Temperature Quantum Coherence and Rabi Oscillations in Vanadyl Phthalocyanine: Toward Multifunctional Molecular Spin Qubits
	(Ph4P)2[VO(C9H6S8)2](4)	0.5	0.32 mM	V	C9H6S8	(Ph4P)2	C18H12S16VO	C70H62O2P2S16V	45 vol % dimethylformamide-d7/toluene-d8	table	12300	54.4	5.95	2.92	5	106.2415088	84.19970117	149.6324744	0	0	0.009928608	2	https://pubs.acs.org/doi/full/10.1021/jacs.6b13030	Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence
	(Ph4P)2[VO(C5H6S4)2](2)	0.5	0.32 mM	V	C5H6S4	(Ph4P)2	C10H12S8VO	C62H58N2OP2S8V	45 vol % dimethylformamide-d7/toluene-d8	table	16500	58.7	6.02	3.23	5	105.8364486	83.66202873	150.7870027	0	0	0.040883666	2	https://pubs.acs.org/doi/full/10.1021/jacs.6b13031	Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence
	(Ph4P)2[VO(C3H6S2)2](1)	0.5	0.1 mM	V	C3H6S2	(Ph4P)2	C6H12S4VO	C54H52OP2S4V	45 vol % dimethylformamide-d7/toluene-d8	table	17500	62.9	10.11	4.81	5	105.7324475	78.20425011	145.4122145	0	0	0	2	https://pubs.acs.org/doi/full/10.1021/jacs.6b13032	Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence
	(Ph4P)2[VO(C7H6S6)2](3)	0.5	0.32 mM	V	C7H6S6	(Ph4P)2	C14H12S12VO	C62H52OP2S12V	45 vol % dimethylformamide-d7/toluene-d8	table	11300	63.2	6.59	2.945	5	106.4241537	84.128253	149.8910398	0	0	0.001130856	2	https://pubs.acs.org/doi/full/10.1021/jacs.6b13033	Synthetic Approach To Determine the Effect of Nuclear Spin Distance on Electronic Spin Decoherence
oxo(5,10,15,20â€tetratolylporphyrinato)molybdenum(V) complexe	O= Mo(TTP)OH	0.5	2 mM	Mo			C44H29N4O2Mo	C44H29N4O2Mo	2: 1 toluene-CHCI3	WPD		6.932532037										1	https://onlinelibrary.wiley.com/doi/pdf/10.1002/mrc.1260331312	Temperature and orientation dependence of electron spin relaxation in molybdenum(V) porphyrins
oxo(5,10,15,20â€tetratolylporphyrinato)molybdenum(V) complexe	O= Mo(TTP)Cl	0.5	2 mM	Mo			C44 H28 Cl1 Mo1 N4 O1	C44 H28 Cl1 Mo1 N4 O1	2: 1 toluene-CHCI3	WPD		3.695673673			6	106.1095357	82.14256265	175.9282357	0	0	0	1	https://onlinelibrary.wiley.com/doi/pdf/10.1002/mrc.1260331312	Temperature and orientation dependence of electron spin relaxation in molybdenum(V) porphyrins
oxo(5,10,15,20â€tetratolylporphyrinato)molybdenum(V) complexe	O= Mo(TTP)OEt	0.5	2 mM	Mo			C46H33N4O2Mo	C46H33N4O2Mo	7: 2: 1 toluene-CHCI3-EtOH.	WPD		5.9606469		1.77841017								1	https://onlinelibrary.wiley.com/doi/pdf/10.1002/mrc.1260331312	Temperature and orientation dependence of electron spin relaxation in molybdenum(V) porphyrins
		0.5	1 %mol	Yb				C27H27N4O3Yb	LuC27H27N4O3	table	7.843		0.296									1	https://pubs.acs.org/doi/abs/10.1021/jacs.6b02702	Toward Molecular 4f Single-Ion Magnet Qubits
	VOPc	0.5	0.5 mM	V	Opc		C32H8N8H2VO	C32H16N8OV	D2SO4-	table	20000		11		5	106.1523424	84.93710147	147.2225839	0	0	0.001052657	2	https://pubs.rsc.org/en/content/articlelanding/2016/cc/c6cc00300a#!divAbstract	Tuning of molecular qubits: very long coherence and spinâ€“lattice relaxation times
	(Ph4P)3[Fe(C5O5)3]	2.5	1:1000 molar ratio	Fe	C5O5	(Ph4P)3	C15O15Fe	C89 H68 Fe O17 P3	crystalized in (Ph4P)3[Ga(C5O5)3] 1:1000 Fe:Ga	tbale	2.6		0.329		6	106.1095357	82.14256265	175.9282357	0	0	0	1	https://pubs.rsc.org/en/content/articlelanding/2016/cc/c6cc05094h#!divAbstract	Unexpected suppression of spinâ€“lattice relaxation via high magnetic field in a high-spin iron(III)complex
	(Ph4P)3[Fe(C5O5)3]	2.5	0.5 mM	Fe	C5O5	(Ph4P)3	C15O15Fe	C89 H68 Fe O17 P3	.5 mM concentration of SO2	table	2.56		0.268		6	106.1095357	82.14256265	175.9282357	0	0	0	2	https://pubs.rsc.org/en/content/articlelanding/2016/cc/c6cc05094h#!divAbstract	Unexpected suppression of spinâ€“lattice relaxation via high magnetic field in a high-spin iron(III)complex
	(Ph4P)2[V(C8S8)3](1)	0.5	0.5 mM	V	C8S8	(Ph4P)2	C24S24V	C81H51Cl2P2S24V	CS2	table	20417.37945	25.11886432	675	4.6	6	105.0648495	80.54014174	166.0364229	0	0	0	3	https://pubs.acs.org/doi/abs/10.1021/acscentsci.5b00338	Millisecond Coherence Time in a Tunable Molecular Electronic SpinQubit
	(Ph4P)2[V(C8S8)3](1)	0.5	0.5 mM	V	C8S8	(Ph4P)2	C24S24V	C81H51Cl2P2S24V	1:1 DMF-d7:Tol-d8	table	10814.33951	7.04693069	6.5	2.07	6	105.0648495	80.54014174	166.0364229	0	0	0	2	https://pubs.acs.org/doi/abs/10.1021/acscentsci.5b00338	Millisecond Coherence Time in a Tunable Molecular Electronic SpinQubit
	(Ph4P)2[V(C3S5)3](2)	0.5	0.5 mM	V	Î²-C3S5	(Ph4P)2	C9S15V	C57H40P2S15V	1:1 DMF-d7:Tol-d8	table	1230.268771	6.60693448	6.13	1.96	6	105.365934	83.72486257	166.304818	0	0	0	2	https://pubs.acs.org/doi/abs/10.1021/acscentsci.5b00338	Millisecond Coherence Time in a Tunable Molecular Electronic SpinQubit
	(Ph4P)2[V(C3S4O)3](4)	0.5	0.5 mM	V	C3S4O	(Ph4P)2	C9S12O3V	C58H44O4P2S12V	1:1 DMF-d7:Tol-d8	table	1059.253725	8.453	6.01	2.3	6	105.0761884	79.74399129	164.4745581	0	0	0	2	https://pubs.acs.org/doi/abs/10.1021/acscentsci.5b00338	Millisecond Coherence Time in a Tunable Molecular Electronic SpinQubit
	(Ph4P)2[V(C3S5)3](3)	0.5	0.5 mM	V	Î±-C3S5	(Ph4P)2	C9S15V	C60H46OP2S15V	1:1 DMF-d7:Tol-d8	table	2355.049284	10.16248693	6.33	2.314	6	105.2276665	78.93879817	166.9984123	0	0	0	2	https://pubs.acs.org/doi/abs/10.1021/acscentsci.5b00338	Millisecond Coherence Time in a Tunable Molecular Electronic SpinQubit
	[K(C18N2H36O6)][Y(C5H4Si(CH3)3)3] 1	0.5	10 mM	Y	C5H4Si(CH3)3	K(C18N2H36O6)	C24H39Si3Y	YC42H75N2O6Si3	(CH2)4O (THF)	WPD	37137	72.57	2.481	0.48	3	94.43735737	29.56015494	169.2793018	0	0	0	1	https://www.nature.com/articles/s41467-019-11309-3	Engineering electronic structure to prolong relaxation times in molecular qubits by minimising orbital angular momentum
	[K(C18N2H36O6)][Lu(C5H4Si(CH3)3)3] 2	0.5	10 mM	Lu	C5H4Si(CH3)3	K(C18N2H36O6)	C24H39Si3Lu	LuC42H75N2O6Si3	(CH2)4O (THF)	WPD	7657	4.504	2.9	0.67	3	94.51372655	29.84655971	169.8443233	0	0	0	1	https://www.nature.com/articles/s41467-019-11309-3	Engineering electronic structure to prolong relaxation times in molecular qubits by minimising orbital angular momentum
	[K(C18N2H36O6)][La(C5H4Si(CH3)3)3] 3	0.5	10 mM	La	C5H4Si(CH3)3	K(C18N2H36O6)	C24H39Si3La	LaC42H75N2O6Si3	(CH2)4O (THF)	WPD	1437	10.11		0.58								1	https://www.nature.com/articles/s41467-019-11309-3	Engineering electronic structure to prolong relaxation times in molecular qubits by minimising orbital angular momentum
	[K(C18N2H36O6)][Sc{(N(Si(CH3)3)2}3] 4	0.5	10 mM	Sc	N(Si(CH3)3)2	K(C18N2H36O6)	N3Si6C18H54Sc	ScC36Si6N5H90O6	(CH2)4O (THF)	WPD	4969	26.36	1.99	0.127	3	96.76938907	26.69965187	161.5277423	0	0	0	1	https://www.nature.com/articles/s41467-019-11309-3	Engineering electronic structure to prolong relaxation times in molecular qubits by minimising orbital angular momentum
	(n-Bu3NH)2[V(C6H4O2)3] (1)	0.5	1 mM	V	C6H4O2	(n-Bu3NH)2	C18H12O6V	VC42H68N2O6	d14-o-terphenyl	table	416.6666667		3.385		6	95.33940218	25.64148807	166.8156166	0	0	0	2	https://pubs.rsc.org/en/content/articlelanding/2019/SC/C9SC02899D#!divAbstract	Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes
	(n-Bu3NH)2[V(4-Br-C6H3O2)3] (2)	0.5	2 mM	V	BrC6H3O2	(n-Bu3NH)2	Br3C18H9O6V	VC42N2O6Br3H65	d14-o-terphenyl	table	480.7692308		3.66		6	95.14983519	25.56584087	164.2765391	0	0	0	2	https://pubs.rsc.org/en/content/articlelanding/2019/SC/C9SC02899D#!divAbstract	Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes
	(n-Bu3NH)2[V(3,5-Br2-C6H2O2)3] (3)	0.5	3 mM	V	Br2C6H2O2	(n-Bu3NH)2	Br6C18H6O6V	VC42N2O6Br6H62	d14-o-terphenyl	table	515.4639175		3.57									2	https://pubs.rsc.org/en/content/articlelanding/2019/SC/C9SC02899D#!divAbstract	Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes
	(n-Bu3NH)2[V(4,5-Br2-C6H2O2)3] (4)	0.5	4 mM	V	Br2C6H2O2	(n-Bu3NH)2	Br6C18H6O6V	VC42N2O6Br6H62	d14-o-terphenyl	table	1219.512195		1.62		6	94.88705951	25.62245459	159.7198203	0	0	0	2	https://pubs.rsc.org/en/content/articlelanding/2019/SC/C9SC02899D#!divAbstract	Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes
	(n-Bu3NH)2[V(C6Br4O2)3] (5)	0.5	5 mM	V	C6Br4O2	(n-Bu3NH)2	C18Br12O6V	VC42N2O6Br12H56	d14-o-terphenyl	table	446.4285714		3.73		4	95.43633787	25.02826376	168.3512786	0	0	0	2	https://pubs.rsc.org/en/content/articlelanding/2019/SC/C9SC02899D#!divAbstract	Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes
	(PPh4)[Cu(mnt)2]	0.5		Cu	S2C4N2	PPh4	S4C8N4Cu	C56D40NiN4P2S4	1â€†:â€†1 d2-DCM/CS2	table	3827		7.78	6.4								2	https://pubs.rsc.org/en/Content/ArticleLanding/2017/CP/C6CP08161D#!divAbstract	Molecular qubits based on potentially nuclear-spin-free nickel ions
	VO2+ (aq)	0.5	3 mM	V	O		VO	VO	1:1 water :glycerol	WPD	8628.65	7.44537										1	https://pubs.acs.org/doi/abs/10.1021/bk-2007-0974.ch026	Electron Spin Lattice Relaxation of V(IV) Complexes in Glassy Solutions between 15 and 70 K
chromyl bis(1-hy-droxy-cyclohexanecarboxylic acid)	CrO(HCA)2 -	0.5	0.3 mM	Cr	C7H12O3		CrO7H24C14	CrO7H24C14	1:1 D20:glycerol-ds,	WPD			55.1008									3	https://www.sciencedirect.com/science/article/pii/S109078079891610X?via%3Dihub	Solvent and Temperature Dependence of Spin Echo Dephasingfor Chromium(V) and Vanadyl Complexes in Glassy Solution
chromyl bis(1-hy-droxy-cyclohexanecarboxylic acid)	CrO(HCA)2 -	0.5	0.3 mM	Cr	C7H12O3		CrO7H24C14	CrO7H24C14	1:1 H20:glycerol	WPD	8590.606	31.6	4.55219	4.4596								1	https://www.sciencedirect.com/science/article/pii/S109078079891610X?via%3Dihub	Solvent and Temperature Dependence of Spin Echo Dephasingfor Chromium(V) and Vanadyl Complexes in Glassy Solution
	(Ph4P)2[V(C6H4S2)3] (1)	0.5	0.5%molar	V	C6H4S2	(Ph4P)2	VC18H12S6	VC66H52S6P2	(Ph4P)2[Ti(C6H4S2)3]	table	25500	42.1	2.572	1.118	6	104.8308781	82.81244959	161.8019305	0	0	0	1	https://pubs.rsc.org/en/content/articlelanding/2019/SC/C9SC00074G#!divAbstract	Metal ligand covalency enables room temperature molecular qubit candidates
	(Ph4P)2[Cu(C6H4S2)2] (2)	0.5	0.5%molar	Cu	C6H4S2	(Ph4P)2	CuC12H8S4	CuC60H48S4P2	(Ph4P)2[Ni(C6H4S2)2]	table	26700	50.5	2.226	0.982	4	119.9967434	89.57013039	180	0.000199154	0.000138578	0	1	https://pubs.rsc.org/en/content/articlelanding/2019/SC/C9SC00074G#!divAbstract	Metal ligand covalency enables room temperature molecular qubit candidates
	(Ph4P)2[V(C6H4Se2)3] (3)	0.5	0.5%molar	V	C6H4Se2	(Ph4P)2	VC18H12Se6	VC66H52Se6P2	(Ph4P)2[Ti(C6H4Se2)3]	table	6680	1.36	4.08	0.546	6	105.0509344	81.11832542	167.4447091	0	0	0	1	https://pubs.rsc.org/en/content/articlelanding/2019/SC/C9SC00074G#!divAbstract	Metal ligand covalency enables room temperature molecular qubit candidates
	(Ph4P)2[Cu(C6H4Se2)2](4)	0.5	0.5%molar	Cu	C6H4Se2	(Ph4P)2	CuC12H8Se4	CuC60H48Se4P2	(Ph4P)2[Ni(C6H4Se2)2]	table	12900	6.72	4.396	0.781	4	119.9955993	89.92503031	180	0.000269125	0.000187266	0	1	https://pubs.rsc.org/en/content/articlelanding/2019/SC/C9SC00074G#!divAbstract	Metal ligand covalency enables room temperature molecular qubit candidates
bis(N,N0-dimethyl-4-amino-3-penten-2-imine) copper( II )	Cu(Me2Nac)2	0.5	1% by weight	Cu	C7H13N2		C14H26CuN4	C14H26CuN4	Zn(Me 2 Nac)2	table	1420	0.83	0.37	0.32	3	63.53894281	39.73076199	95.69065107	0	0	0		https://doi.org/10.1039/D1SC06130E	Chemical control of spinâ€“lattice relaxation to discover a room temperature molecular qubit
bis(acetylacetone)ethylenediamine copper(II)	Cu(acacen)	0.5	1% by weight	Cu	C12H18N2O2		C12H18CuN2O2	C12H18CuN2O2	Ni(acacen)	table	1830	3.43	2.88	0.452	4	118.4667784	86.13192613	175.5018125	0.069957552	0.06808587	0		https://doi.org/10.1039/D1SC06130E	Chemical control of spinâ€“lattice relaxation to discover a room temperature molecular qubit
tetramethyltetraazaannulene copper(II)	Cu(tmtaa)	0.5	1% by weight	Cu	C22H22N4		C22H22Cu1N4	C22H22Cu1N4	Ni(tmtaa)	table	4060	13.9	1.84	0.79	4	118.527539	83.99068744	177.1557166	0.069536999	0.060657597	0		https://doi.org/10.1039/D1SC06130E	Chemical control of spinâ€“lattice relaxation to discover a room temperature molecular qubit
bis(N,N0-dimethyl-4-amino-3-penten-2-imine) copper( II )	Cu(Me2Nac)2	0.5	1% by weight	Cu	C7H13N2		C14H26CuN4	C14H26CuN4	O-terphenyl	table	373	0.8	14.3	0.33	3	63.53894281	39.73076199	95.69065107	0	0	0		https://doi.org/10.1039/D1SC06130E	Chemical control of spinâ€“lattice relaxation to discover a room temperature molecular qubit
bis(acetylacetone)ethylenediamine copper(II)	Cu(acacen)	0.5	1% by weight	Cu	C12H18N2O2		C12H18CuN2O2	C12H18CuN2O2	O-terphenyl	table	960	3.2	5.88	1.07	4	118.4667784	86.13192613	175.5018125	0.069957552	0.06808587	0		https://doi.org/10.1039/D1SC06130E	Chemical control of spinâ€“lattice relaxation to discover a room temperature molecular qubit
tetramethyltetraazaannulene copper(II)	Cu(tmtaa)	0.5	1% by weight	Cu	C22H22N4		C22H22Cu1N4	C22H22Cu1N4	O-terphenyl	table	537	6.5	3.58	1.82	4	118.527539	83.99068744	177.1557166	0.069536999	0.060657597	0		https://doi.org/10.1039/D1SC06130E	Chemical control of spinâ€“lattice relaxation to discover a room temperature molecular qubit
	Cr(2,4-dimethylphenyl)4	1		Cr	C8H9		C32H36Cr	C32H36Cr	Sn(2,4-dimethylphenyl)4	table	76.5		0.496		4	109.4712013	109.00612	110.6526008	0.993437297	0.990460648	0		https://pubs.acs.org/doi/abs/10.1021/jacs.1c10145	Tunable Cr4+ Molecular Color Centers
	Cr(o-tolyl)4	1		Cr	C7H7		C28H28Cr	C28H28Cr	Sn(o-tolyl)4	table	528		2.17		4	109.5167019	102.3664673	113.4875488	0.945475907	0.944856355	0		https://pubs.acs.org/doi/abs/10.1021/jacs.1c10145	Tunable Cr4+ Molecular Color Centers
	Cr(2,3-dimethylphenyl)4	1		Cr	C8H9		C32H36Cr	C32H36Cr	Sn(2,3-dimethylphenyl)4	table	366		1.24		4	109.4713317	107.7195948	110.3838991	0.987462424	0.987462424	0		https://pubs.acs.org/doi/abs/10.1021/jacs.1c10145	Tunable Cr4+ Molecular Color Centers
	Cr(2,2,2-triphenylethyl)4	1		Cr	C20H17		C80H68Cr	C80H68Cr	Sn(2,4- dimethylphenyl)4	table	37.3		0.62		4	109.4599788	105.1382892	113.3668659	0.952080568	0.949972775	0		https://pubs.acs.org/doi/abs/10.1021/jacs.1c10145	Tunable Cr4+ Molecular Color Centers
	Cr((trimethylsilyl)methyl)4	1		Cr	C4H11Si		C16H44CrSi4	C16H44CrSi4	Sn((trimethylsilyl)methyl)4	table	1530				4	109.494851	106.862923	113.5091732	0.943888215	0.943658289	0		https://pubs.acs.org/doi/abs/10.1021/jacs.1c10145	Tunable Cr4+ Molecular Color Centers
	Cr(cyclohexyl)4	1		Cr	C6H11		C24H44Cr	C24H44Cr	Sn(cyclohexyl)4	table	269		0.37		4	109.5133957	106.1532407	114.5749657	0.928366522	0.928259501	0		https://pubs.acs.org/doi/abs/10.1021/jacs.1c10145	Tunable Cr4+ Molecular Color Centers
	[Ni(phen)3](BF4)2	1	1mM	Ni	C12H8N2	2(BF4)	C36H24N6Ni	C36H24N6NiB2F8	1:1 H2O/glycerol	table	4		0.63		6	106.4432631	79.31305828	172.2843328	0	0	0		https://pubs.acs.org/doi/full/10.1021/jacs.0c06909	Nickel(II) Metal Complexes as Optically Addressable Qubit Candidates
	[Ni(pyr3)2](BF4)2	1	1mM	Ni	C16H13N3	2(BF4)	C32H26N6Ni	C32H26N6NiB2F8	1:1 H2O/glycerol	table	4.9		0.331		6	107.9963565	86.42840081	179.9852174	0	0	0		https://pubs.acs.org/doi/full/10.1021/jacs.0c06909	Nickel(II) Metal Complexes as Optically Addressable Qubit Candidates
	(Et3NH)2[V(C6H4O2)3]	0.5	1mM	V	C6H4O2	(Et3NH)2	C18H12O6V	C30H50N2O6V	O-terphenyl	table	8400		2.3		6	95.14944925	25.47835505	163.9862416	0	0	0		https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.2c01090	Impact of Counter Ion Methyl Groups on Spin Relaxation in [V(C6H4O2)3]2â€“
	(n-Bu3NH)2[V(C6H4O2)3]	0.5	1mM	V	C6H4O2	(n-Bu3NH)2	C18H12O6V	C54H92N2O6V	O-terphenyl	table	8600		3.9		6	89.79688694	8.754133835	166.9135154	0	0	0		https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.2c01090	Impact of Counter Ion Methyl Groups on Spin Relaxation in [V(C6H4O2)3]2â€“
	(n-Hex3NH)2[V(C6H4O2)3]	0.5	1mM	V	C6H4O2	(n-Hex3NH)2	C18H12O6V	C66H120N2O6V	O-terphenyl	table	12100		5.2										https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.2c01090	Impact of Counter Ion Methyl Groups on Spin Relaxation in [V(C6H4O2)3]2â€“
	(n-Oct3NH)2[V(C6H4O2)3]	0.5	1mM	V	C6H4O2	(n-Oct3NH)2	C18H12O6V	C50H84N2O8V	O-terphenyl	table	10800		5.6		6	95.34041701	25.63948133	166.8721808	0	0	0		https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.2c01090	Impact of Counter Ion Methyl Groups on Spin Relaxation in [V(C6H4O2)3]2â€“
	[Mo(CN)8][HNBu3]3	0.5	0.5mM	Mo	CN	Cs3	C8H4Cs3Mo1N8O2	C8H4Cs3Mo1N8O2	butyronitrile	table	55000	33			8	100.1559984	72.06368478	144.4033858	0	0	0		https://pubs.rsc.org/en/content/articlelanding/2018/DT/C8DT02312C	Octacyanometallate qubit candidates
	[W(CN)8][HNBu3]3	0.5	0.5mM	W					butyronitrile	table	71300	2											https://pubs.rsc.org/en/content/articlelanding/2018/DT/C8DT02312C	Octacyanometallate qubit candidates
	(C6F5)3trenVCNtBu	1	2.3% V:Ga, or âˆ¼25 mM	V	C29H21F15N5		C29H21F15N5V	C29H21F15N5V	H3(C6F5)3tren	table			0.137		4	100.0655864	81.56870402	119.6146104	0.869945249	0.865864884	0		https://pubs.acs.org/doi/full/10.1021/jacs.0c08986	Trigonal Bipyramidal V3+ Complex as an Optically Addressable Molecular Qubit Candidate
	K3[Ru(C2O4)3]	0.5	1mM	Ru	C2O4	K3	C6O12Ru	C6O12RuK3	1:1 H2O/glycerol	table			3.37		6	96.06619411	24.39735169	175.607075	0	0	0		https://pubs.acs.org/doi/10.1021/ja5037397	Influence of Electronic Spin and Spinâˆ’Orbit Coupling on Decoherence in Mononuclear Transition Metal Complexes
	K3[Cr(C2O4)3]	1.5	1mM	Cr	C2O4	K3	C6O12Cr	C6O12CrK3	1:1 H2O/glycerol	table			2.5										https://pubs.acs.org/doi/10.1021/ja5037397	Influence of Electronic Spin and Spinâˆ’Orbit Coupling on Decoherence in Mononuclear Transition Metal Complexes
	K3[Fe(C2O4)3]	2.5	1mM	Fe	C2O4	K3	C6O12Fe	C6O12FeK3	1:1 H2O/glycerol	table			1.3										https://pubs.acs.org/doi/10.1021/ja5037397	Influence of Electronic Spin and Spinâˆ’Orbit Coupling on Decoherence in Mononuclear Transition Metal Complexes
	(Ph4P)3[Fe(CN)6]	2.5	1mM	Fe	CN	(Ph4P)3	C6N6Fe	C78H60P3N6Fe	1:1 H2O/glycerol	table			1.8		6	107.2861905	85.49648802	179.2469274	0	0	0		https://pubs.acs.org/doi/10.1021/ja5037397	Influence of Electronic Spin and Spinâˆ’Orbit Coupling on Decoherence in Mononuclear Transition Metal Complexes
	(Ph4P)3[Ru(CN)6]	0.5	1mM	Ru	CN	(Ph4P)3	C6N6Ru	C78H60P3N6Ru	1:1 H2O/glycerol	table			2.55		6	107.3641381	86.78254889	177.5209102	0	0	0		https://pubs.acs.org/doi/10.1021/ja5037397	Influence of Electronic Spin and Spinâˆ’Orbit Coupling on Decoherence in Mononuclear Transition Metal Complexes
	(Ph4P)3[Os(CN)6]	0.5	1mM	Os	CN	(Ph4P)3	C6N6Os	C78H60P3N6Os	1:1 H2O/glycerol	table			4.06		6	107.9981461	86.42842586	180	0	0	0		https://pubs.acs.org/doi/10.1021/ja5037397	Influence of Electronic Spin and Spinâˆ’Orbit Coupling on Decoherence in Mononuclear Transition Metal Complexes
	Cu0.1-PCN-224	0.5	Zr:Cu 43.8:1	Cu	C72H36N6O26		C72H36Cu1.50N6O26Zr6	C72H36Cu1.50N6O26Zr6	ZrCl4	table	540	2.9	0.636	0.148	4	119.8474053	90.00092178	179.5404874	0.006520257	0.006519543	0		https://pubs.rsc.org/en/content/articlelanding/2019/SC/C8SC04435J	A concentrated array of copper porphyrin candidate qubits
	Cu0.4-PCN-224	0.5	Zr:Cu 9.35:1	Cu	C72H36N6O26		C72H36Cu1.50N6O26Zr6	C72H36Cu1.50N6O26Zr6	ZrCl4	table	304	3.1	0.187	0.0542	4	119.8474053	90.00092178	179.5404874	0.006520257	0.006519543	0		https://pubs.rsc.org/en/content/articlelanding/2019/SC/C8SC04435J	A concentrated array of copper porphyrin candidate qubits
	Cu1.0-PCN-224	0.5	Zr:Cu 3.99:1	Cu	C72H36N6O26		C72H36Cu1.50N6O26Zr6	C72H36Cu1.50N6O26Zr6	ZrCl4	table	320	2.8	0.0584	0.0268	4	119.8474053	90.00092178	179.5404874	0.006520257	0.006519543	0		https://pubs.rsc.org/en/content/articlelanding/2019/SC/C8SC04435J	A concentrated array of copper porphyrin candidate qubits
	(n-Bu3NH)2[V(C6H4O2)3]	0.5	1mM	V	C6H4O2	(n-Bu3NH)2	C18H12O6V	C54H92N2O6V	d14-o-terphenyl	table	6400		2.3		6	89.79688694	8.754133835	166.9135154	0	0	0		https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.2c01090	Impact of Counter Ion Methyl Groups on Spin Relaxation in [V(C6H4O2)3]2â€“
	(n-Bu3NH)2[V(C6H4O2)3]	0.5	0.05% V	V	C6H4O2	(n-Bu3NH)2	C18H12O6V	C54H92N2O6V	(n-Bu3NH) [Ti(C6H4O2 )3 ]	table	4600		0.98		6	89.79688694	8.754133835	166.9135154	0	0	0		https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.2c01090	Impact of Counter Ion Methyl Groups on Spin Relaxation in [V(C6H4O2)3]2â€“
	(n-Bu3NH)2[V(C6H4O2)3]-(2d2)	0.5	0.05% V	V	C6H4O2	(n-Bu3NH)2	C18H12O6V	C54H92N2O6V	(n-Bu3NH) [Ti(C6H4O2 )3 ] -(2d2)	table	5500		0.83		6	89.79688694	8.754133835	166.9135154	0	0	0		https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.2c01090	Impact of Counter Ion Methyl Groups on Spin Relaxation in [V(C6H4O2)3]2â€“
(η8-cyclooctatetraene)(η5-cyclopentadienyl)titanium	[CpTi(cot)]	0.5	1mM	Ti	C13H13		C13H13Ti	C13H13Ti	deuterated toluene	WPD	4823.926676	31.04144032	20										https://doi.org/10.1002/anie.202009634	Exploring the Organometallic Route to Molecular Spin Qubits: The [CpTi(cot)] Case
(η8-cyclooctatetraene)(η5-cyclopentadienyl)titanium	[CpTi(cot)]	0.5	0.5 mM	Ti	C13H14		C13H13Ti	C13H13Ti	deuterated toluene	WPD	11660		21										https://doi.org/10.1002/anie.202009635	Exploring the Organometallic Route to Molecular Spin Qubits: The [CpTi(cot)] Case
(η8-cyclooctatetraene)(η5-cyclopentadienyl)titanium	[CpTi(cot)]	0.5	3%	Ti	C13H15		C13H13Ti	C13H13Ti	[CpTi-(cht)]	WPD	6764		0.11										https://doi.org/10.1002/anie.202009636	Exploring the Organometallic Route to Molecular Spin Qubits: The [CpTi(cot)] Case

Please cite our paper, Mullin et al. (In Press, 2024), where additional details may be found. The website is under active development. Please feel free to contact James Rondinelli with any questions, comments, and feature requests.

This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under award DE-SC0019356. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof.

Molecular Qubit Database

Search the table below for various molecular qubits described in Mullin et al. Systems-Chart Approach to the Design of Spin Relaxation Times in Molecular Qubits (2024).

Molecular qubit relaxation time data set contain the names, composition, and experimental relaxation times from the literature.

Additional information about the geometry of the molecules, computed from experimental structures files, is also included.

Structure files are available on GitHub.

If your molecular qubit color center is missing, please contact James Rondinelli to have your entry added. We understand that new molecules and materials are discovered every year.

Please cite our paper, Mullin et al. (In Press, 2024), where additional details may be found. The website is under active development. Please feel free to contact James Rondinelli with any questions, comments, and feature requests.