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Conformational dependence of intramolecular vibrational redistribution in methanol
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10.1063/1.2431367
/content/aip/journal/jcp/126/4/10.1063/1.2431367
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/4/10.1063/1.2431367

Figures

Image of FIG. 1.
FIG. 1.

The torsional potential and the torsional probability distributions for methanol with five quanta of OH stretch excitation , calculated from the parameters of Ref. 10. The present work accesses the first torsionally excited states of and symmetries and is compared to previous spectra that access the corresponding torsionally unexcited states .

Image of FIG. 2.
FIG. 2.

Energy level schematic for double resonance vibrational overtone excitation used to access . The overtone excitation to an upper state is detected by IRLAPS. IRLAPS involves IRMPD followed by LIF detection of the OH fragments.

Image of FIG. 3.
FIG. 3.

Double resonance spectra in the region accessed through symmetry intermediate states of the vibration [(a) and (b)] and of the vibration (c). The state selection transitions are (a) , (b) , and (c) . The spectra of “partially eclipsed” and “staggered” methanols are obtained by scanning the second pump laser through the and bands, respectively. The linked markers in (a) are separated by 6B and indicate the calculated positions of and transitions corresponding to the features in (b).

Image of FIG. 4.
FIG. 4.

Double resonance spectra in the region accessed through symmetry intermediate states of the vibration [(a)–(c)] and of the vibration (d). The state selection transitions are (a) , (b) , (c) , and (d) . The spectra of “partially eclipsed” and “staggered” methanols are obtained by scanning the second pump laser through the and bands, respectively. The linked markers in (a) and (b) indicate the calculated positions of pairs of and transitions corresponding to the features in (c). The linked markers in (d) connect and features.

Image of FIG. 5.
FIG. 5.

The calculated composition of the CH stretch normal mode is shown based on the approximate adiabatic separation of the torsion from the CH stretches (Ref. 26). At each torsional angle, the CH stretch normal mode wave function is expressed as a linear combination of three harmonic oscillators, each localized on one of the CH bonds. The Newman projections at three torsional angles indicate qualitatively the amplitude and relative phase of the vibration on each CH bond. At the staggered and eclipsed conformations, methanol has a plane of symmetry and the species of the vibration in are indicated.

Tables

Generic image for table
Table I.

Transition wave numbers and term values for the and vibrational states.

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/content/aip/journal/jcp/126/4/10.1063/1.2431367
2007-01-26
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Conformational dependence of intramolecular vibrational redistribution in methanol
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/4/10.1063/1.2431367
10.1063/1.2431367
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