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Overtone spectroscopy of C–H ethyl stretches of 1-butyne
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10.1063/1.2011397
/content/aip/journal/jcp/123/8/10.1063/1.2011397
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/8/10.1063/1.2011397

Figures

Image of FIG. 1.
FIG. 1.

Vibrational overtone excitation of the manifold of C–H ethylic stretch of 1-butyne: (a) measured room-temperature photoacoustic absorption spectrum, (b) measured jet-cooled action spectrum monitoring the yield of H photofragments following photodissociation of preexcited 1-butyne, and (c) stick spectrum based on the local-mode model and including Fermi resonance with the best-fit parameters of Table I. The stick heights represent the contributions of the pure local-mode basis states and do not intend to indicate quantitative intensities of the actual transitions (see text).

Image of FIG. 2.
FIG. 2.

Vibrational overtone excitation of the manifold of C–H ethylic stretch of 1-butyne: (a) measured room-temperature photoacoustic absorption spectrum, (b) measured jet-cooled action spectrum monitoring the yield of H photofragments following photodissociation of preexcited l-butyne, and (c) stick spectrum based on the local-mode model and including Fermi resonance with the best-fit parameters of Table I. The stick heights represent the contributions of the pure local-mode basis states and do not intend to indicate quantitative intensities of the actual transitions (see text).

Image of FIG. 3.
FIG. 3.

Vibrational overtone excitation of the manifold of C–H ethylic stretch of 1-butyne: (a) measured room-temperature photoacoustic absorption spectrum and (b) stick spectrum based on the local-mode model and including Fermi resonance with the best-fit parameters of Table I. The stick heights represent the contributions of the pure local-mode basis states and do not intend to indicate quantitative intensities of the actual transitions (see text).

Image of FIG. 4.
FIG. 4.

Time-dependent probabilities of states of 1-butyne in the first overtone region obtained from the derived Hamiltonian and assuming that either (a) the methylene or (b) the methyl states contain all the initial population. The other two states in each plot are some of the corresponding target states, including and for methylene and and for methyl.

Image of FIG. 5.
FIG. 5.

Time-dependent probabilities, on longer time scales, of states of 1-butyne in the first overtone region obtained from the derived Hamiltonian and assuming that either (a) the methylene or (b) methyl states contain all the initial population. The other two states in each plot are the counterpart states, for methylene and and for methyl. The last two states overlap.

Tables

Generic image for table
Table I.

Joint local-/normal-mode best-fit and fixed [the parameters in parentheses were fixed to keep the number of fitted parameters as low as possible (Ref. 12)] parameters in for C–H stretching and bending modes of methylene and methyl groups in 1-butyne.

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/content/aip/journal/jcp/123/8/10.1063/1.2011397
2005-08-31
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Overtone spectroscopy of C–H ethyl stretches of 1-butyne
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/8/10.1063/1.2011397
10.1063/1.2011397
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