IR spectra, methylene chain vibrations and rotational isomerism of n-alkyl trichloroacetates

Autor: J. Morcillo, Yoshiyuki Mido, Nobuhiro Komatsu, M.Victoria Garcia
Rok vydání: 1988
Předmět:
Zdroj: Journal of Molecular Structure. 172:49-62
ISSN: 0022-2860
DOI: 10.1016/0022-2860(88)87005-4
Popis: IR spectra of ten n-alkyl trichloroacetates CCl 3 COO(CH 2 ) n CH 3 (R′—TCA) in the crystalline state (R′—TCAs with n = 4, 5 in the glassy state) have been studied, End-group (CCl 3 COO—) vibrations have been assigned by referring to the previous results for methyl and ethyl analogs and four methylene band progressions have been analyzed. Interaction between methylene and end group vibrations is discussed. It is suggested that in the crystalline state the nP-TCA ( n = 2) molecule takes gauche conformation only in OCH 2 CH 2 CH 3 group and the other R′—TCA molecules adopt the all- rans extended form relative to skeletal rotational axes.
Databáze: OpenAIRE