CRYSTAL AND MOLECULAR STRUCTURE AND ELECTRONIC PROPERTIES OF [CU(BBIMPY)(H2O)(2)(ONO2)](NO3)CENTER-DOT-H2O (BBIMPY=2,6-BIS(2-BENZIMIDAZOLYL)PYRIDINE)

摘要

The crystal structure of the complex [Cu(bbimpy)(H2O)(2)(ONO2)](NO3). H2O (bbimpy=2,6-bis(2-benzimidazolyl)pyridine) has been determined by X-ray diffraction methods. It crystallises in the monoclinic space group P2(1), with Z=4 in a cell of dimensions a=13.350(1), b=7.820(1), c=21.484(1) Angstrom, beta=92.26(1)degrees. The structure is built up of [Cu(bbimpy)(H2O)(2)(ONO2)](+) cations, NO3- anions and crystal lattice water molecules, with a 4+1+1 pseudo-octahedral geometry for the CuN3OO'O'' chromophores. In the EPR spectrum exchange coupling between Cu(II) chromophores of different orientation is observed, and molecular g values, compatible with the crystallographic data, could be calculated. [References: 27]