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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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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
Creators: Grabow, Jens-Uwe; Dreizler, H.; Kirchner, Barbara; Huber, Hanspeter; Steinebrunner, Gerold; Lorenzo, Felipe J.; Alonso, José L.; Merke, Ilona; Onda, Masao
Issue Date: 1997
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.
URI: http://hdl.handle.net/1811/14027
Other Identifiers: 1997-TB-02
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