L. Phillips et al., THE CHARGE-DISTRIBUTION IN SUBSTITUTED BENZENECHROMIUMTRICARBONYLS - AN INTERPRETATION OF SPECTROSCOPIC DATA IN TERMS OF BOND DIPOLES AND CHARGES, Journal of organometallic chemistry, 539(1-2), 1997, pp. 121-125
The charge distribution in a series of methyl-substituted benzenechrom
iumtricarbonyls was investigated as a function of bond charge displace
ment. The modelling is based on vibrational spectroscopic data, group
and bond dipole moment additivity and molecular orbital calculations.
An effective radius for the chromium atom in these complexes is determ
ined. The EXAFS spectra are related to the proposed model. (C) 1997 El
sevier Science S.A.