Inorganic Chemistry, Vol.35, No.11, 3137-3144, 1996
Axial Bonding Capabilities of Square-Planar D(8)-ml(4) Complexes - Theoretical-Study and Structural Correlations
A qualitative molecular orbital study and a structural analysis of the bonding capabilities of the metal atoms in square planar ML(4) complexes of d(8) ions are presented. In addition to analyzing the donor-acceptor properties of the metal atom in such complexes, the following aspects are also studied : (a) the effect of axial groups (bases or acids) on the donor-acceptor properties of the metal atom; (b) the effect of the axial groups on the deviation of the ML(4) ensemble from planarity; (c) the effect of an axial group on the bond between the metal atom and another group in trans; and (d) the implications on chemical reactivity.
Keywords:RAY CRYSTAL-STRUCTURE;ORGANOPLATINUM-AMINE SYSTEM;X-RAY;OXIDATIVE-ADDITION;METHYL-IODIDE;METALLOMACROCYCLE IR2(CO)2CL2(MU-(PH2PCH2)2ASPH)2;KEY INTERMEDIATE;HYDROGEN-ATOM;RHODIUM;IRIDIUM