VIBRATIONAL-SPECTRA, CONFORMATIONAL STABILITY, AND AB-INITIO CALCULATIONS OF FLUOROMETHYL, ETHYL AND METHOXY DICHLOROPHOSPHINE

Authors
DURIG JR ROBB JB HONEYCUTT TR DAEYAERT FFD HERREBOUT WA VANDERVEKEN BJ
Citation
Jr. Durig et al., VIBRATIONAL-SPECTRA, CONFORMATIONAL STABILITY, AND AB-INITIO CALCULATIONS OF FLUOROMETHYL, ETHYL AND METHOXY DICHLOROPHOSPHINE, Journal of molecular structure, 348, 1995, pp. 213-216
Citations number
4
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure → ACNP
ISSN journal
00222860
Volume
348
Year of publication
1995
Pages
213 - 216
Database
ISI
SICI code
0022-2860(1995)348:<213:VCSAAC>2.0.ZU;2-E
Abstract
The infrared spectra including the samples dissolved in liquid xenon a nd Raman spectra of fluoromethyl dichlorophosphine, FCH2PCl2, ethyl di chlorophosphine, CH3CH2PCl2, and methoxy dichlorophosphine, CH3OPCl2 h ave been recorded for the gaseous, liquids and solids. Relative confor mational stabilities have been determined from the temperature depende nce of the infrared and Raman spectra. These experimental results are compared to those obtained from ab initio calculations employing both the RHF/6-31G() and MP2/6-31G(*) basis sets.