TY - JOUR
T1 - Ru(2,2′-bpy)2(NCS)2·X [X = CH3CN, (CH3)2SO] and Related Compounds
T2 - Crystal Structure, VTFTIR, and NMR Study
AU - Herber, R. H.
AU - Nan, Guijuan
AU - Potanza, J. A.
AU - Schugar, H. J.
AU - Bino, A.
PY - 1989/3/1
Y1 - 1989/3/1
N2 - The crystal structures of Ru(bpy)2(NCS)2, solvated with CH3CN and (CH3)2SO, have been determined. Ru(C10H8N2)2(NC-S)2·CH3CN crystallizes in the monoclinic inface group C2/c with a = 10.230 (2) Å, b = 15.209 (3) Å, c = 16.186 (2) Å, β = 105.19 (1)°, Z = 4, and RF(RwF) = 0.037 (0.046) for 1023 reflections with F02>3σ(F02);Ru(C10H8N2)2(NCS)2-(CH3)2SO crystallizes in the triclinic inface group PI with a = 12.402 (2) Å, b = 12.732 (2) Å, c = 8.853 (1) Å, α = 105.70 (3)°, β= 103.06 (2)°, y = 83.65 (3)°, Z = 2, and RF(RwF) = 0.053 (0.068) for 3517 reflections with F02> 3σ(F20). In both complexes, the isothiocyanate ligands are cis. The CN absorbance in the IR infectra of the desolvated complex, as well as in the infectra of mulls of the DMSO-solvated material, has been determined and compared to those in the IR infectra of related cis and trans octahedral complexes of bis(isothiocyanate) infecies. The13C NMR infectra in DMSO-d6show the expected 11 resonances associated with the cis configuration observed in the X-ray determinations. The implications of the infectroscopic signatures of these complexes in relation to their structures in the solid state and the extent to which these signatures are diagnostic with reinfect to the symmetry properties of these complexes are discussed.
AB - The crystal structures of Ru(bpy)2(NCS)2, solvated with CH3CN and (CH3)2SO, have been determined. Ru(C10H8N2)2(NC-S)2·CH3CN crystallizes in the monoclinic inface group C2/c with a = 10.230 (2) Å, b = 15.209 (3) Å, c = 16.186 (2) Å, β = 105.19 (1)°, Z = 4, and RF(RwF) = 0.037 (0.046) for 1023 reflections with F02>3σ(F02);Ru(C10H8N2)2(NCS)2-(CH3)2SO crystallizes in the triclinic inface group PI with a = 12.402 (2) Å, b = 12.732 (2) Å, c = 8.853 (1) Å, α = 105.70 (3)°, β= 103.06 (2)°, y = 83.65 (3)°, Z = 2, and RF(RwF) = 0.053 (0.068) for 3517 reflections with F02> 3σ(F20). In both complexes, the isothiocyanate ligands are cis. The CN absorbance in the IR infectra of the desolvated complex, as well as in the infectra of mulls of the DMSO-solvated material, has been determined and compared to those in the IR infectra of related cis and trans octahedral complexes of bis(isothiocyanate) infecies. The13C NMR infectra in DMSO-d6show the expected 11 resonances associated with the cis configuration observed in the X-ray determinations. The implications of the infectroscopic signatures of these complexes in relation to their structures in the solid state and the extent to which these signatures are diagnostic with reinfect to the symmetry properties of these complexes are discussed.
UR - http://www.scopus.com/inward/record.url?scp=33845185083&partnerID=8YFLogxK
U2 - 10.1021/ic00304a026
DO - 10.1021/ic00304a026
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AN - SCOPUS:33845185083
SN - 0020-1669
VL - 28
SP - 938
EP - 942
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 5
ER -