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Investigation of the torsion rotation energy levels of the carbon-hydrogen asymmetric stretches in methanol

The CH asymmetric stretching region of the methanol spectrum has been measured from 2900 to 3200 cm$\sp{-1}$ using the newly constructed Fourier transform spectrometer (FTS). The nominal resolution, the reciprocal of twice the maximum optical path difference, is 0.004 cm$\sp{-1}$. / The objectives of this investigation were to identify, assign, and analyze the torsion-rovibrational transitions of the CH$\sb3$ asymmetric stretching fundamentals $v\sb2$ and $v\sb9$. The theory used in the investigation is principally that used by Lees and Baker with the modifications described by Y. Y. Kwan. It is here assumed that this model is suitable for fundamentals other than the torsion rotation. / A total of 13 P branch and 11 R branch series were assigned (13 series representing 6 excited states belonging to the $v\sb2$ fundamental and 11 series representing 5 excited states belonging to the $v\sb9$ fundamental). A partial nonlinear least squares analysis of the series origins yields a band center of 2999.44 cm$\sp{-1}$, a barrier height of 405.62 cm$\sp{-1}$, and a value of 5.29 cm$\sp{-1}$ for the moment of inertia of the methyl group about the symmetry axis for the $v\sb2$ fundamental. The corresponding values for the $v\sb9$ fundamental are 2970.18 cm$\sp{-1}$, 529.71 cm$\sp{-1}$, and 5.34 cm$\sp{-1}$ respectively. These parameters give a quality of fit with rms deviations of 1.15 cm$\sp{-1}$ and 1.26 cm$\sp{-1}$ for the $v\sb2$ and $v\sb9$ bands respectively. / A criterion was used to divide the assignments between two separate bands. A comparison between the asymmetric stretch data of methyl fluoride, the OH and CO stretch data of methanol indicates that our assignments are reasonable. / Tentative assignments of several series observed in the spectra based on calculations, using the fitted parameters and normal state parallel combination differences, are also given. / Source: Dissertation Abstracts International, Volume: 53-10, Section: B, page: 5260. / Major Professor: Robert H. Hunt. / Thesis (Ph.D.)--The Florida State University, 1992.

Identiferoai:union.ndltd.org:fsu.edu/oai:fsu.digital.flvc.org:fsu_76776
ContributorsBignall, Orville Newton., Florida State University
Source SetsFlorida State University
LanguageEnglish
Detected LanguageEnglish
TypeText
Format164 p.
RightsOn campus use only.
RelationDissertation Abstracts International

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