X-ray and X-ray photoelectron spectroscopy studies of the electronic structure of borane derivatives

This paper reviews the results of electronic structure studies of a number of typical members of borane series by X-ray and X-ray photoelectron spectr oscopy using quantum chemical calculations. Fragment analysis of the molecu lar orbital structure is given. The nature of chemical interaction in boron cluster compounds is studied on models: simple molecules NH3, BH3, and BF3 and their adducts (NH3BH3)-B-. and (NH3BF3)-B-.. The electronic structure of B10H12L2 type compounds with Lewis bases L = NH3, (CH3)(2)S, (C6H5)(3)P is analyzed. The complexes are considered in terms of the concept of donor- acceptor interactions between the fragments. The donor acceptor bond has co ntributions front both occupied and vacant acceptor orbitals. X-ray photoel ectron data on the charged states of atoms in the compounds are overviewed. Electron distribution in complex compounds with transition metals [(1,2-B9 C2H11)(2)M](-), M = Fe-III, Co-III, Ni-III,Ni- and Ni-IV and chain type pol ycobaltocarborane anions {[(3)-1,2-B9C2H11](2)Co-n[(3,6)-1,2-B8C2H10](n-1)} (n-) = 2-7, is considered.