Inter- and intramolecular interactions and rotational tunneling of methyl groups in tetramethyltin

Article abstract of DOI:10.1063/1.459950

Rotational tunneling of methyl groups in partially deuterated tetramethyltin compounds, (CH3)xSn(CD3)4-x with x = 1 and 3, and in various isotopic mixtures, <(CH3)4Sn>x1-x, x = 0.027, 0.20, and 0.50, and x1-x, x = 0.10, respectively, has been studied using the inelastic neutron-scattering (INS) technique.Compared with the INS spectrum of fully protonated tetramethyltin, (CH3)4Sn, the spectra obtained in the present study show remarkable shifts and broadenings or splittings of tunnel lines.The interpretation of the INS results is based on the assumption that all partially deuterated compounds and isotopically mixed systems have the same crystal structure as pure (CH3)4Sn.Combining the INS results with a detailed discussion of the crystal structure, all features can be explained in terms of both the intra- and intermolecular interactions of methyl groups.The overall decrease of tunnel splittings with deuteration is explained by the reduction of the lattice parameter and the increased octopole moment of the CD3 groups.The interaction between different molecules is mediated by a subset of methyl group pairs only.

Full text of DOI:10.1063/1.459950

Inter and intramolecular interactions and rotational tunneling of methyl groups in
tetramethyltin
Da Zhang, Michael Prager, and Alarich Weiss
Citation: The Journal of Chemical Physics 94, 1765 (1991); doi: 10.1063/1.459950
View online: http://dx.doi.org/10.1063/1.459950
View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/94/3?ver=pdfcov
Published by the AIP Publishing
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This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
136.165.238.131 On: Mon, 22 Dec 2014 03:29:17

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
136.165.238.131 On: Mon, 22 Dec 2014 03:29:17

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
136.165.238.131 On: Mon, 22 Dec 2014 03:29:17

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
136.165.238.131 On: Mon, 22 Dec 2014 03:29:17

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
136.165.238.131 On: Mon, 22 Dec 2014 03:29:17

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
136.165.238.131 On: Mon, 22 Dec 2014 03:29:17

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
136.165.238.131 On: Mon, 22 Dec 2014 03:29:17

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
136.165.238.131 On: Mon, 22 Dec 2014 03:29:17