Symmetry Coordinates, Harmonic Force Field, and Mean Amplitudes for Light and Heavy Dibenzene Chromium

Abstract

The molecular vibrations of dibenzene chromium are analyzed in terms of the eclipsed 25 atomic model of symmetry D6h with planar ligands. A complete set of symmetry coordinates is constructed and based almost entirely on conventional types of valence coordinates. A harmonic force field is given, and is used to calculate the vibrational frequencies, mean amplitudes of vibration, and perpendicular amplitude correction coefficients for (C6H6)2Cr and (C6D6)2Cr.