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- W2044941128 abstract "The rotational–torsional spectrum of ethyl alcohol is presented in the torsional ground state of the OH internal rotation. The spectrum has been investigated in the 12–1650 GHz range. Over 10 000 transitions with quantum numbers through J=76 and Ka=26 have been assigned and analyzed with a three state Hamiltonian model accounting for the predominately threefold asymmetric internal rotation of the OH group. We believe that this is the first comprehensive analysis of a predominately threefold asymmetric top–asymmetric frame internal rotation problem. The data set includes over 1000 trans to gauche transitions as well as examples of numerous torsion–rotation interactions. The general features of the spectrum are discussed along with a detailed discussion of the Hamiltonian model, its limitations and the prospects for further Hamiltonian development. A complete set of torsion–rotation constants have been determined using an effective Hamiltonian that models the spectrum with a near unity reduced deviation. The comprehensive nature of the data will make ethyl alcohol the prototypical asymmetric top–asymmetric frame internal rotation problem and facilitate the subsequent refinement of the Hamiltonian models." @default.
- W2044941128 created "2016-06-24" @default.
- W2044941128 creator A5001572371 @default.
- W2044941128 creator A5007775473 @default.
- W2044941128 creator A5059653079 @default.
- W2044941128 date "2008-09-01" @default.
- W2044941128 modified "2023-10-03" @default.
- W2044941128 title "The asymmetric top–asymmetric frame internal rotation spectrum of ethyl alcohol" @default.
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- W2044941128 doi "https://doi.org/10.1016/j.jms.2008.05.007" @default.
- W2044941128 hasPublicationYear "2008" @default.