Mean Amplitudes of Vibration, Thermodynamic Functions, Molecular Polarizability and Absolute Raman Intensities of Σ+ g Modes in Carbon Subnitride

Abstract

Vibrational and structural informations for carbon subnitride, a molecule possessing a linear symmetrical structure with the point group D∞h, have been used to determine the mean-square amplitude quantities and mean amplitudes of vibration for the bonded and nonbonded atom pairs at the temperatures T=0 and T=298°K by the Cyvin method. The molar thermodynamic functions have been computed for the temperature range 100-6000°K on the basis of a rigid rotator, harmonic oscillator model. Bond polarizabilities, molecular polarizability and polarizability deriva­tives corresponding to absolute Raman intensities of Σg + modes in the ground electronic state have been calculated by the Lippincott-Stutman method employing the delta-function potentials