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dc.creatorBaraban, J. H.en_US
dc.creatorField, R. W.en_US
dc.creatorStanton, J. F.en_US
dc.creatorMerer, A. J.en_US
dc.date.accessioned2012-07-09T19:35:41Z
dc.date.available2012-07-09T19:35:41Z
dc.date.issued2012en_US
dc.identifier2012-WG-03en_US
dc.identifier.urihttp://hdl.handle.net/1811/52495
dc.descriptionAuthor Institution: Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA; Institute for Theoretical Chemistry, Departments of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712; Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan;en_US
dc.description.abstractLow-barrier \textit{cis}-\textit{trans} isomerization profoundly affects the $\tilde{A}$-$\tilde{X}$ spectrum of acetylene. We present extensions of the usual effective Hamiltonian model that capture these effects, and thereby enable fits of the complete $\tilde{A}$ ${}^{1}A_{u}$ state $J=K=0$ level structure up to $4300$ cm$^{-1}$ above the \textit{trans} zero point level. The relationship between these new additions to the model and spectroscopic indicators of the transition state energy will also be discussed. One dimensional models will be used to illustrate both the effects of the isomerization dynamics on the spectrum and how they can be exploited to reveal the isomerization barrier height.en_US
dc.language.isoenen_US
dc.publisherOhio State Universityen_US
dc.titleUNUSUAL ANHARMONICITIES IN ISOMERIZING SYSTEMS: THE S$_{1}$ STATE OF C$_{2}$H$_{2}$en_US
dc.typeArticleen_US
dc.typeImageen_US
dc.typePresentationen_US


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