Raman spectra of gases. XVI. Torsional transitions in ethanol and ethanethiol

Autor:	James R. Durig, C. J. Wurrey, W. E. Bucy, L. A. Carreira
Rok vydání:	1975
Předmět:	chemistry.chemical_classification Ethanol Ethanethiol General Engineering Torsion (mechanics) Photochemistry Spectral line chemistry.chemical_compound symbols.namesake chemistry Thiol symbols Physical chemistry Molecule Physical and Theoretical Chemistry Raman spectroscopy Conformational isomerism
Zdroj:	The Journal of Physical Chemistry. 79:988-993
ISSN:	1541-5740 0022-3654
Popis:	The Raman spectra of gaseous ethanol and ethanethiol have been investigated. Thiol torsional fundamentals for the gauche conformer of EtSH and EtSD have been observed and the asymmetric potential function for this vibration has been calculated. Methyl torsional transitions and overtones have also been observed for both of these molecules. Barriers to internal rotation for the methyl top are calculated to be 3.77 and 3.84 kcal/mol for the EtSH and EtSD compounds, respectively. Hydroxyl torsional fundamentals were observed at 207 and 170 per cm in the EtOH and EtOD spectra, respectively. Overtones of the methyl torsion in both molecules yield a barrier to internal rotation of 3.62 kcal/mol for the gauche conformer.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::329d4088ecf7dbf2caa87f14c69c0ab7 https://doi.org/10.1021/j100577a009 Zobrazit plný text záznamu