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dc.creatorPerry, David S.en_US
dc.date.accessioned2008-01-11T21:52:45Z
dc.date.available2008-01-11T21:52:45Z
dc.date.issued2005en_US
dc.identifier2005-TD-03en_US
dc.identifier.urihttp://hdl.handle.net/1811/30547
dc.descriptionAuthor Institution: Department of Chemistry, The University of Akron, Akron, OH 44325-3601en_US
dc.description.abstractThe vibrational dynamics of highly excited CH stretch and torsional vibrations of methanol are explored using a 4-dimensional effective Hamiltonian. The model parameters are constrained by a combination of low-resolution CH overtone spectra and high-resolution spectra of the three CH fundamentals and of the torsional levels of the vibrational ground state. Systematic patterns of degeneracies are found in four regions of quantum number space: (i) At low excitation energies, the torsion-vibration states are at most 2-fold degenerate as expected for the combination of the E-type torsional tunneling species with the $A^{\prime }$ and $A^{\prime \prime }$ (in C$_s$) CH stretch vibrations. (ii) At high torsional energies, we find a series of approximate 4-fold degeneracies characteristic of a degenerate E-type asymmetric CH stretch in combination with a decoupled free internal rotation. (iii) When a single CH bond is excited to a high level, torsional tunneling is quenched causing all such levels to be 3-fold degenerate. (iv) When both a local CH stretch and internal rotation are highly excited, we find systematic 6-fold degeneracies characterized by free internal rotation decoupled from three equivalent local CH stretches.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleSYSTEMATIC DEGENERACIES AS A GUIDE TO THE VIBRATIONAL DYNAMICS OF METHANOLen_US
dc.typearticleen_US


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