Experimental Determination Of Relative Signs Of Dipole Moment Derivatives: Hcn And Dcn

Abstract

An alternative numerical analysis for the experimental determination of the relative signs of the dipole moment derivatives with respect to the normal coordinates is presented. Use is made of the polar tensor and effective charge equations and the G-intensity sum rule of Crawford. The relative signs are determined by sufficiently accurate individual infrared fundamental intensities of one molecule and only the sum of these intensities for an isotopically related molecule. The intensity data of HCN and DCN are used to illustrate the procedure. The as yet unreported values of the atomic polar tensors and effective charges of these molecules are also reported. © 1978 American Institute of Physics.68384785