Vibrational spectra of C6H5CHCl2

✍ Scribed by R.J.A. Ribeiro-Claro; A.M.d'A.Rocha Gonsalves; J.J.C. Teixeira-Dias

• Book ID: 103905624
• Publisher: Elsevier Science
• Year: 1985
• Tongue: English
• Weight: 579 KB
• Volume: 41
• Category: Article
• ISSN: 1386-1425
• DOI: 10.1016/0584-8539(85)80005-2

✦ Synopsis

This paper presents a vibrational assignment for C6HsCHC12 based essentially on spectral comparisons, in the series of a-chlorinated tolueneq with a few deuterated analogues. A normal coordinate analysis, performed with a simplified valence force field, assesses the extent of vibrational splitting caused by the CH, and CH I conformations of the -CHCl, group. The relative importance of geometrical and force field parameters on the internal rotation of this group is considered. Upper limits to the rotational barriers of mono-, di-and trichloromethylbenzene are also calculated and discussed. Table 2. Observed frequencies (cm-') of ring modes of deuterated a-halotoluenes and their approximate descriptions Approximate C,