Perturbation of the Electronic Structure of a Copper(II) ion by a CuICl Moiety in a Class I Mixed Valence Copper Complex, CuII(Me5dien)Cl2(CuICl)

摘要: A new mixed valence copper complex Cu(II)(Me(5)dien)Cl(2)(Cu(I)Cl) (2) was obtained from the reaction of CuCl with Cu(II)(Me(5)dien)Cl(2) (1) in acetonitrile. The structures 1 and 2 have been determined by single-crystal X-ray diffraction analyses. Compound crystallizes monoclinic space group P2(1)/n a = 8.374(5) A, b 17.155(3) c 23.806(5) beta 94.40(4) degrees, Z 8, V 3398(1) A(3) while compound orthorhombic Pbcn 14.71(1) 16.06(2) 13.38(1) 3159(5) A. unit both compounds has similar distorted square-pyramidal geometry. Cu(I)Cl moiety is attached to Cu(II) via two bridging chlorine atoms trigonal planar UV-vis EPR spectroscopic studies molecular orbital calculations established presence significant perturbation electronic structure ion 2.