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Vibrational Spectra and Normal Coordinate Calculations of Chlorophosphazene Compounds. I. Hexachlorocyclotriphosphazene

Volume 36, Number 3 (June 1982) Page 265-271

Painter, P.C.; Zarian, J.; Coleman, M.M.


Vibrational spectra and normal coordinate calculations of hexachlorocyclotriphosphazene (HCTP) are presented. Attempts to obtain a common valence force field for HCTP and the two conformers of octachlorocyclotetraphosphazene which were not successful, are discussed. The force field obtained for HCTP is, by necessity, relatively simple. Nevertheless, we have been able to make assignments of the normal modes and resolve some apparent discrepancies in the literature.