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OH torsion of some chlorophenols
Author(s) -
GonzálezDíaz P. F.,
Sigüenza C.
Publication year - 1986
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.1250170203
Subject(s) - raman spectroscopy , torsion (gastropod) , phenol , chemistry , internal rotation , vapor phase , computational chemistry , analytical chemistry (journal) , thermodynamics , physics , organic chemistry , quantum mechanics , engineering , medicine , mechanical engineering , surgery
The ν t (OH) and ν t (OD) torsional modes in some chloro‐substituted derivatives of phenol were assigned from their Raman spectra in CS 2 solution. The corresponding rotation barriers were then calculated by means of a rigorous optimization method. Some theoretical calculations have allowed an extension of the discussion to the vapour phase.