Infrared intensities and bond moments in phosgene and thiophosgene

Infrared intensities have been measured by the Wilson-Wells' pressure-broadening technique for the ν1, ν2, and ν4 bands of COCl2 and CSCl2. Bond moments and effective charges have been calculated from these intensities with the aid of the usual bond moment assumptions and an additional relation derived from equating the vector sum of the bond moments to the permanent electric dipole moment of the molecule. The values of the bond moments and effective charges calculated for these molecules are: COCl2 μCO=3.91 Debyes(C+→O−) μ′CO= 4.08 Debyes/A μCCl=2.91 Debyes(C+→Cl−) μ′CCl= −8.10 Debyes/A CSCl2 μCS=0.697 Debyes (C+→S−) μCS=3.54 Debyes/A μCCl=0.393 Debyes (C+→Cl−) μCCl=−4.21 Debyes/A These values were chosen from the possible solutions of the bond moment equations with the aid of an analysis of the other molecular parameters known for these two molecules. This analysis also serves to help test the applicability of the bond moment assumptions to these molecules.