Torsional Potential Function of Glyoxal

Autor:	J. R. Durig, W. E. Bucy, A. R. H. Cole
Rok vydání:	1975
Předmět:	Physics chemistry.chemical_compound Torsional vibration chemistry Computational chemistry Infrared General Physics and Astronomy Molecule Infrared spectroscopy Glyoxal Function (mathematics) Potential energy Conformational isomerism
Zdroj:	Canadian Journal of Physics. 53:1832-1837
ISSN:	1208-6045 0008-4204
Popis:	We have shown, using the fact that glyoxal exists in the trans conformer and the pseudo stable cis conformer, a potential function can be calculated which fits the infrared data of the trans conformer and the microwave intensity data of the cis conformer. This potential function was extended to the d1 and d2 analogs. A study of the potential function of 1,3-butadiene using a different molecular geometry than was previously used was undertaken. Results are presented with different possible vibrational assignments and potential functions which would be consistent with the observed infrared and Raman spectra.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::92e71ecd11c90d680ffbc11c535b56ab https://doi.org/10.1139/p75-234 Zobrazit plný text záznamu