R. Boca et al., ELECTRONIC-STRUCTURE OF (DIMETHYLGLYOXIMATO)TRIPHENYLPHOSPHINERHODIUM(III) COMPLEXES, Journal of molecular catalysis. A, Chemical, 95(2), 1995, pp. 141-146
Three metal complexes of general composition [Rh(PPh(3))(dmgH)(2)R] (d
mgH(-) =monoanion of dimethylglyoxime, R(-)=CH3-C-2(-), CH2=CH- and C6
H5C drop C-) have been investigated by the quasirelativistic INDO/1 me
thod. Geometric models of the complexes were taken from X-ray structur
e analysis. The bonding situation has been analyzed in terms of bond-m
ultiplicity indices and bicentric increments to the total energy. A de
creasing trans influence of the organo group evidenced from the X-ray
data was not confirmed by the corresponding stabilization of the Rh-P
bond.