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Vibrational analysis of substituted anisoles. I–Vibrational spectra and normal coordinate analysis of some fluoro and chloro compounds
Author(s) -
Lakshmaiah B.,
Ramana Rao G.
Publication year - 1989
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.1250200709
Subject(s) - raman spectroscopy , chemistry , infrared , spectral line , force field (fiction) , valence (chemistry) , infrared spectroscopy , force constant , molecule , analytical chemistry (journal) , normal mode , fourier transform , potential energy , vibration , computational chemistry , molecular physics , atomic physics , physics , optics , quantum mechanics , organic chemistry
The Raman spectra of 4‐fluoroanisole, 2,3,5,6‐tetrafluoro‐, pentafluoro‐, 2,3,6‐trichloro‐, 2,3,4‐trichloro‐ and 3,5‐dichloro‐anisole were recorded in the region 4000–10 cm −1 and their infrared spectra as mulls were measured in the range 4000–200 cm −1 . The Fourier transform far‐infrared spectra of the same samples in the region 600–20 cm −1 were also obtained. A normal coordinate analysis was made for the in‐plane vibrations of these molecules using a 50‐parameter modified valence force field. The force constants were refined using an overlay least‐squares technique. Unambiguous vibrational assignments were made using the potential energy distributions and eigenvectors.