INFRARED INTENSITIES AND CALCULATION OF INFRARED BAND SHAPES OF NU(CO) AND NU(C=C) VIBRATIONAL MODES IN GROUP-6B - (NORBORNADIENE)TETRACARBONYLMETAL DERIVATIVES
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The integrated infrared intensities of the CO and CC stretching vibrations have been determined for a series of transition metal-carbonyl compounds of the type (norbornadiene)M(CO)4 (M = Cr, Mo, W). Dipole moment derivatives for the carbonyl stretching modes have been calculated assuming that each of the symmetry-related vibrational modes exhibits a characteristic MCO group dipole moment derivative. Computer band shape analysis, employing a Cauchy-Gauss product function, was used to separate the overlapping v(CC) bands. It was found that the intensity of the in-phase CC stretching mode of the ligand increased considerably upon complexation. This change is consistent with the predicted behavior based upon inferences from the carbonyl force constants and intensities and supports the Dewar-Chatt theory of metal-olefin bonding. 1977, American Chemical Society. All rights reserved.