Modellberechnugnen zu den Schwingungsspektren von Phenylsilanen und einigen verwandten Verbindungen

Abstract

Normal coordinate calculations on symmetric vibrations of (C6H5) n MX4−n type molecules (M=C, Si, Ge, Sn, Pb, P andX=H, F, Cl, Br, OH) have been performed using a simplified model for “M-sensitive” modes of the phenyl group. A good agreement of calculated and observed frequencies is obtained with reasonable and transferable force constants. Significant effects of vibrational coupling are illustrated byPED calculations.