Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2001 Supplementary information Syntheses, structures, magnetic, and spectroscopic properties of cobalt(II), nickel(II) and zinc(II) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxides Youhei Yamamoto, Takayoshi Suzuki and Sumio Kaizaki* Contents Figure S1 (a) Packing diagram of [CoCl2(NITmepy)] 1 viwed along crystallographic a axis; and (b) closest intermolecular contacts of [CoCl2(NITmepy)] 1 in the crystal (symmetry operation for the primed atoms: x+1, y, z; only Co, imino nitroxide and pyridine moieties are shown for clarity). Figure S2 Packing diagram of [CoCl2(IMmepy)] 2. Figure S3 Solvent-dependence of (a) UV-vis absorption and (b) MCD spectra of 1 in a mixture of dichloromethane and acetonitrile at room temperature [(a) CH2Cl2:CH3CN = 10:0, 9:1, 8:2, 6:4, 4:6, 2:8 and 0:10; (b) CH2Cl2:CH3CN = 10:0, 8:2, 5:5 and 0:10]. Figure S4 UV-vis-NIR absorption spectra of [CoCl2(NITmepy)] 1 in dichloromethane (— — — ), CoCl2•6H2O in acetonitrile (- - - - -) and NITmepy in dichloromethame (– • – • – ) at room temperature. Figure S5 UV-vis-NIR absorption spectra of [CoCl2(IMmepy)] 2 in dichloromethane (— — — ), CoCl2•6H2O in acetonitrile (- - - - -) and IMmepy in dichloromethame (– • – • – ) at room temperature. Figure S6 Temperature-dependence of the anisotropic magnetic properties for complex 1Br in the form of (// or ) vs. T and (// or )•T vs. T. The // denotes the molar magnetic susceptibility when the crystallographic a axis parallels to the magnetic field, and the does that when the a axis is directed to the perpendicular magnetic field. ( S1 ) Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2001 (a ) b c 0 (b ) O(2') N(2') 3.2 02(8) 3.530(9) N(22) O(22) 3.8 40(9) 3.3 44(8) O(2) N(2) Figure S1 (a) Packing diagram of [CoCl2(NITmepy)] 1 viwed along crystallographic a axis; and (b) closest intermolecular contacts of [CoCl2(NITmepy)] 1 in the crystal (symmetry operation for the primed atoms: x+1, y, z; only Co, imino nitroxide and pyridine moieties are shown for clarity). ( S2 ) Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2001 0 b c a Figure S2 Packing diagram of [CoCl2(IMmepy)] 2. ( S3 ) Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2001 5 4 (a) 3 –1 ) –1 cm 3 mol (b) 1 1 Figure S3 Solvent-dependence of (a) UV-vis absorption and (b) MCD spectra of 1 in a mixture of dichloromethane and acetonitrile at room temperature [(a) CH2Cl2:CH3CN = 10:0, 9:1, 8:2, 6:4, 4:6, 2:8 and 0:10; (b) CH2Cl2:CH3CN = 10:0, 8:2, 5:5 and 0:10]. ( S4 ) –1 –1 T 40 –1 35 30 10 –3 / cm–1 cm 25 M 20 -1 15 3 mol 0 0 / dm / dm log ( 2 Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2001 4 3 –1 ) –1 cm 3 mol / dm log ( 2 1 5 Figure S4 10 15 20 25 30 10 –3 / cm–1 35 40 UV-vis-NIR absorption spectra of [CoCl2(NITmepy)] 1 in dichloromethane (— — — ), CoCl2•6H2O in acetonitrile (- - - - -) and NITmepy in dichloromethame (– • – • – ) at room temperature. ( S5 ) Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2001 4 3 –1 ) –1 cm 3 mol / dm log ( 2 1 5 Figure S5 10 15 20 25 30 10 –3 / cm–1 35 40 UV-vis-NIR absorption spectra of [CoCl2(IMmepy)] 2 in dichloromethane (— — — ), CoCl2•6H2O in acetonitrile (- - - - -) and IMmepy in dichloromethame (– • – • – ) at room temperature. ( S6 ) Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2001 0.5 2.5 //•T 0.4 0.5 0 0 0 Figure S6 50 100 150 T /K 200 250 300 Temperature-dependence of the anisotropic magnetic properties for complex 1Br in the form of (// or ) vs. T and (// or )•T vs. T. The // denotes the molar magnetic susceptibility when the crystallographic a axis parallels to the magnetic field, and the does that when the a axis is directed to the perpendicular magnetic field. ( S7 ) 3 mol K // 0.1 •T / cm 1.0 -1 0.2 1.5 •T 3 mol / cm 0.3 2.0