Abstract
The normal mode frequencies and corresponding vibrational assignments of tetrachlorodiphosphine in C 2 h symmetry are examined theoretically using the gaussian 98 set of quantum chemistry codes. All normal modes were successfully assigned to one of six types of motion (P–Cl stretch, P–P stretch, PCl 2 scissors, PCl 2 twist, PCl 2 wag, and PCl 2 rock) predicted by a group theoretical analysis. By comparing the vibrational frequencies with IR and Raman spectra available in the literature, a set of scaling factors is derived. Theoretical IR and Raman intensities are reported.
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