The charge distribution in substituted benzenechromiumtricarbonyls: An interpretation of spectroscopic data in terms of bond dipoles and charges
作者： Leonidas Phillips , Craig M. Barnes , Manuel J. Aroney
DOI: 10.1016/S0022-328X(97)00039-9
关键词: Atomic physics 、 Bond order 、 Spectral line 、 Bond dipole moment 、 Chemical polarity 、 Partial charge 、 Charge density 、 Chemistry 、 Molecular orbital 、 Dipole
摘要: Abstract The charge distribution in a series of methyl-substituted benzenechromiumtricarbonyls was investigated as function bond displacement. modelling is based on vibrational spectroscopic data, group and dipole moment additivity molecular orbital calculations. An effective radius for the chromium atom these complexes determined. EXAFS spectra are related to proposed model.
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