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$^{33} S$ NUCLEAR QUADRUPOLE COUPLING IN THIIRANE, METHYLTHIRANE, 2,2-DIMETHYLTHIIRANE, AND ANTI-2,3-DIMETHYLTHIIRANE: HYPERFINE STRUCTURE IN THE ROTATIONAL SPECTRA AND AB-INITIO CALCULATIONS

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/14027

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dc.creator Grabow, Jens-Uwe en_US
dc.creator Dreizler, H. en_US
dc.creator Kirchner, Barbara en_US
dc.creator Huber, Hanspeter en_US
dc.creator Steinebrunner, Gerold en_US
dc.creator Lorenzo, Felipe J. en_US
dc.creator Alonso, José L. en_US
dc.creator Merke, Ilona en_US
dc.creator Onda, Masao en_US
dc.date.accessioned 2006-06-15T15:46:02Z
dc.date.available 2006-06-15T15:46:02Z
dc.date.issued 1997 en_US
dc.identifier 1997-TB-02 en_US
dc.identifier.uri http://hdl.handle.net/1811/14027
dc.description Author Institution: Institut f\""ur Physikalische Chemie, Christian-Albrechts –Universit\""{a}; Institut f\""ur Physikalische Chemie, Universit\""{a}t Basel; Departamento de Quimica, Facultad de Ciencias, Universidad de Valladolid; Institut f\""ur Physikalische Chemie, Rheinisch-Westf\""alische Technische Hochschule; Department of Chemistry, Faculty of Science and Technology, Sophia University en_US
dc.description.abstract We present an investigation of the nuclear quadrupole coupling in a series of substituted thiiranes along with thiirane itself: The rotational spectra and the quadrupole coupling hyperfine structures of $^{33}S$ thiirane, $^{33}S$ methylthiirane, $^{33}S$ 2,2-dimethylthiirane, and $^{33}S$ {anti}-2,3-dimethylthiirane in the range of 7 to 22 GHz are reported. Quantum chemical calculations un the MP4(QSD) level with basis sets of high local quality were performed, to determine the nuclear quadrupole coupling tensor of $^{33}S$. The analysis of the nuclear quadrupole coupling in the rotational spectra provided experimental information on the tensors. en_US
dc.format.extent 152428 bytes
dc.format.mimetype image/jpeg
dc.language.iso English en_US
dc.title $^{33} S$ NUCLEAR QUADRUPOLE COUPLING IN THIIRANE, METHYLTHIRANE, 2,2-DIMETHYLTHIIRANE, AND ANTI-2,3-DIMETHYLTHIIRANE: HYPERFINE STRUCTURE IN THE ROTATIONAL SPECTRA AND AB-INITIO CALCULATIONS en_US
dc.type article en_US