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Spectra and structure of phosphorus–boron compounds. XXIII –Raman and infrared spectra, vibrational assignment and normal coordinate analysis of methyldifluorophosphineborane
Author(s) -
Odom J. D.,
Stanley A. E.,
Cheng MeiShiow,
Durig J. R.
Publication year - 1987
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250180107
Subject(s) - raman spectroscopy , chemistry , infrared , intramolecular force , molecule , analytical chemistry (journal) , infrared spectroscopy , isotopic shift , boron , valence (chemistry) , depolarization , spectral line , potential energy , normal mode , molecular physics , nuclear magnetic resonance , atomic physics , vibration , stereochemistry , optics , physics , organic chemistry , astronomy , quantum mechanics , endocrinology , chromatography , medicine
The Raman (3500−10 cm −1 ) and infrared (3500−20 cm −1 ) spectra of CH 3 PF 2 BH 3 and CH 3 PF 2 BD 3 were recorded for the gaseous and solid states. Additionally, the Raman spectrum of the liquid was recorded and qualitative depolarization values were measured. All the fundamental modes except the two internal rotations were assigned utilizing band contours, depolarization values, isotopic shifts and group frequencies. A normal coordinate calculation was carried out utilizing a modified valence force field to calculate the frequencies and the potential energy distributions. The observation of five Raman lines in the spectrum of the solid, and the observation of the doubling of several of the intramolecular fundamentals, indicate that there are at least two molecules per primitive cell. These results are compared with similar quantities in some corresponding molecules.