VIBRATIONAL ANALYSIS OF 2-ETHYL-1-BUTENE AND 3-PENTANONE

Authors
CROWDER GA LIN QY
Citation
Ga. Crowder et Qy. Lin, VIBRATIONAL ANALYSIS OF 2-ETHYL-1-BUTENE AND 3-PENTANONE, Vibrational spectroscopy, 14(2), 1997, pp. 287-297
Citations number
9
Categorie Soggetti
Spectroscopy,"Chemistry Analytical","Chemistry Physical
Journal title
Vibrational spectroscopy → ACNP
ISSN journal
09242031
Volume
14
Issue
2
Year of publication
1997
Pages
287 - 297
Database
ISI
SICI code
0924-2031(1997)14:2<287:VAO2A3>2.0.ZU;2-K
Abstract
Infrared and Raman spectra were obtained for 2-ethyl-1-butene and infr ared spectra were obtained for 3-pentanone. Normal coordinate calculat ions were made for all three possible conformers of each compound and the resulting vibrational assignments and force constants are given in this paper. Molecular mechanics and low-level ab initio molecular orb ital calculations were also made for all the conformers. The results s upport the existence of three conformers of the alkene and two conform ers of the ketone.