Potential Energy Constants, Rotational Distortion Constants, and Thermodynamic Properties for NH3, ND3; PH3, PD3; AsH3, and AsD3

Publisher Website
Google Scholar
Abstract
Normal coordinate analyses have been made for ammonia (NH3), phosphine (PH3), and arsine (AsH3) by the Wilson FG matrix method. Using the data on anharmonicities, and the corresponding completely deuterated molecules, the constants of the most general quadratic potential energy function have been obtained for all these molecules. Based on the technique of Kivelson and Wilson, the rotational distortion constants of all the 6 molecules have been determined and compared with the results obtained from previous rotational spectral data. The molar thermodynamic properties, heat content, free energy, entropy, and heat capacity also have been calculated for temperatures from 100 to 1000°K for the ideal gaseous state at 1 atmos pressure and for a rigid‐rotor, harmonic‐oscillator approximation.