標題: Manifestations of Torsion-CH Stretch Coupling in the Infrared Spectrum of CH3OO
作者: Hsu, Kuo-Hsiang
Huang, Yu-Hsuan
Lee, Yuan-Pern
Huang, Meng
Miller, Terry A.
McCoy, Anne B.
應用化學系
應用化學系分子科學碩博班
Department of Applied Chemistry
Institute of Molecular science
公開日期: 14-七月-2016
摘要: With a step-scan Fourier-transform spectrometer we recorded temporally resolved infrared absorption spectra of CH3OO radicals that were produced upon irradiation of CH3COCH3 and O-2 at 193 nm in a flowing mixture. At a resolution of 0.15 cm(-1), the rotational structure of the nu(2) band of CH3OO near 2954.4 cm(-1) is partially resolved and shows an unexpectedly broadened, and somewhat distorted, Q-branch. A 4D model Hamiltonian, consisting of three CH stretches and the methyl torsion, was developed to explore the origins of this broadening. The vibrational progressions predicted by the model Hamiltonian and the rotational contours of the nu(2) band, based on experimental ground-state rotational parameters and their values scaled by their calculated ratios for the upper state, produced simulations in satisfactory agreement with the observed spectrum. These results provide new inSight into the vibrational couplings in CH3OO.
URI: http://dx.doi.org/10.1021/acs.jpca.5b12334
http://hdl.handle.net/11536/134023
ISSN: 1089-5639
DOI: 10.1021/acs.jpca.5b12334
期刊: JOURNAL OF PHYSICAL CHEMISTRY A
Volume: 120
Issue: 27
起始頁: 4827
結束頁: 4837
顯示於類別:期刊論文