CONFORMATIONAL STABILITY, VIBRATIONAL-SPECTRA AND AB-INITIO CALCULATIONS FOR ETHYLDIFLUOROPHOSPHINE, METHOXYDIFLUOROPHOSPHINE AND CHLOROMETHYLDIFLUOROPHOSPHINE

The infrared spectra of methoxydifluorophosphine, CH3OPF2, dissolved i n liquid xenon have been recorded. From temperature studies of these s pectra it is shown that only one conformer exists. Relative conformati onal stabilities, barriers to internal rotation, force constants, fund amental vibrational frequencies, Raman activities and infrared intensi ties have been obtained from ab initio calculations at the RHF/6-31G or MP2/6-31G levels for ethyldifluorophosphine, methoxydifluorophosph ine and chloromethyldifluorophosphine.