Hexasubstituted chloromethylbenzenes. Vibrational spectra and normal coordinate analysis

✍ Scribed by Bernd M. Bussian; Hans H. Eysel

• Publisher: Elsevier Science
• Year: 1985
• Tongue: English
• Weight: 964 KB
• Volume: 41
• Category: Article
• ISSN: 1386-1425
• DOI: 10.1016/0584-8539(85)80125-2

✦ Synopsis

Infrared spectra of solids and Raman spectra of solutions and solids of six differently substituted chloromethylbenzenes were measured: hexachlorobenzene, hexamethylbenzene, 1,2-dichloropentamethylbenzene, 1,3-dichlorotetramethylbenzene, 1,2,3-trichlorotrimethylbenzene, 1,2,4_trichlorotrimethylbenzene. On the basis of normal coordinate calculations a complete assignment was achieved and a common valence force field for these molecules and the recently reported spectra of monochloropentamethylbenzzne are presented. The asymmetrically substituted compounds show strong couplings of the originally characteristic group frequencies of the symmetrically substituted compounds such as ring deformations, substituent bend and ring stretch. Therefore, the observed frequencies cannot be regarded as characteristic group frequencies. The potential energy distribution for all molecules has demonstrated this fact.