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Infrared, matrix i.r. and Raman spectra of hexachloro-2-propanol

1977; Pergamon Press; Volume: 33; Issue: 3-4 Linguagem: Inglês

10.1016/0584-8539(77)80033-0

1873-3824

Juhani Murto, Antti Kivinen, Markku Räsänen, Matti Perttilä,

Spectroscopy and Quantum Chemical Studies

The i.r. spectra of the alcohol CCl3CHOHCCl3 have been recorded in the gaseous and solid phases, in argon, krypton, nitrogen and carbon monoxide matrices and in various solutions. Raman spectra of the solid alcohol and its solutions were also recorded. Assignments of the vibration bands are made on the basis of an approximate normal coordinate calculation. The alcohol exhibits two conformers in the vapour phase and in solutions; the relative stabilities of these conformers are discussed. When the temperature is varied, a reversible interconversion between two species of the alcohol occurs in nitrogen matrices. The self-association tendency of the alcohol is very weak.