Restricted accessMoreSectionsView PDF ToolsAdd to favoritesDownload CitationsTrack Citations ShareShare onFacebookTwitterLinked InRedditEmail Cite this article Jones Matthew J. , Guillaume François , Harris Kenneth D. M. and Dianoux Albert-josé 1996Molecular dynamics of tetrakis(trimethylsilyl)silane in the solid state: an incoherent quasi-elastic neutron scattering investigationProc. R. Soc. Lond. A.452701–714http://doi.org/10.1098/rspa.1996.0035SectionRestricted accessArticleMolecular dynamics of tetrakis(trimethylsilyl)silane in the solid state: an incoherent quasi-elastic neutron scattering investigation Matthew J. Jones Google Scholar Find this author on PubMed Search for more papers by this author , François Guillaume Google Scholar Find this author on PubMed Search for more papers by this author , Kenneth D. M. Harris Google Scholar Find this author on PubMed Search for more papers by this author and Albert-josé Dianoux Google Scholar Find this author on PubMed Search for more papers by this author Matthew J. Jones Google Scholar Find this author on PubMed Search for more papers by this author , François Guillaume Google Scholar Find this author on PubMed Search for more papers by this author , Kenneth D. M. Harris Google Scholar Find this author on PubMed Search for more papers by this author and Albert-josé Dianoux Google Scholar Find this author on PubMed Search for more papers by this author Published:01 January 1996https://doi.org/10.1098/rspa.1996.0035AbstractIncoherent quasi-elastic neutron scattering (IQNS) spectroscopy has been used to investigate the dynamic properties of solid tetrakis(trimethylsilyl)silane (Si[Si(CH3)3]4). This material is known to undergo a phase transition to a plastic crystal phase at ca. 240 K. The evolution of the elastic intensity as a function of temperature between 4.5 K and 300 K indicates three distinct dynamic regimes, with changes in dynamic behaviour at 120 K and 240 K. Detailed consideration of quasi-elastic broadening in the IQNS spectra (including consideration of the effects of multiple scattering) has established the following information on the dynamic processes occurring on the experimental timescale within each of these regimes. Below 120 K, there are only molecular vibrational motions with no quasi-elastic broadening in the IQNS spectra. Between 120 K and 240 K, the dynamic properties are interpreted as three-fold jumps of the CH3 group about the Si—CH3 bond. Above 240 K, two different dynamic models have been considered: (a) combined three-fold jumps of the CH3 group about the Si—CH3 bond and three-fold jumps of the Si(CH3)3 group about the Si—Si(CH3)3 bond; and (b) isotropic reorientational diffusion. Model (a) fails to fit the IQNS spectra, whereas model (b) provides an acceptable fit to the IQNS spectra in the temperature range investigated (245-300 K) for the high-temperature phase. The isotropic reorientational diffusion is considerably slower than the threefold jumps of the CH3 group about the Si—CH3 bond.FootnotesThis text was harvested from a scanned image of the original document using optical character recognition (OCR) software. As such, it may contain errors. Please contact the Royal Society if you find an error you would like to see corrected. Mathematical notations produced through Infty OCR. Previous ArticleNext Article VIEW FULL TEXT DOWNLOAD PDF FiguresRelatedReferencesDetailsCited by Zhou Y, Patterson R, Williams P, Kariuki B, Hughes C, Samanta R, Devarapalli R, Reddy C, Apperley D and Harris K (2019) Temperature-Dependent Structural Properties, Phase Transition Behavior, and Dynamic Properties of a Benzene Derivative in the Solid State, Crystal Growth & Design, 10.1021/acs.cgd.8b01775, 19:4, (2155-2162), Online publication date: 3-Apr-2019. Desmedt A, Kitchin S, Harris K, Guillaume F, Tykwinski R, Xu M and Gonzalez M (2008) Dynamic Properties of Solid Ammonium Cyanate, The Journal of Physical Chemistry C, 10.1021/jp8042889, 112:40, (15870-15879), Online publication date: 9-Oct-2008. Tutoveanu G, Kitchin S, Harris K and Müller J (2003) Molecular motion in solid ammonia trimethylalane, Journal of Solid State Chemistry, 10.1016/S0022-4596(03)00355-4, 176:1, (120-126), Online publication date: 1-Nov-2003. This Issue08 March 1996Volume 452Issue 1946 Article InformationDOI:https://doi.org/10.1098/rspa.1996.0035Published by:Royal SocietyPrint ISSN:1364-5021Online ISSN:1471-2946History: Manuscript received03/04/1995Manuscript accepted27/06/1995Published online01/01/1997Published in print01/01/1996 License:Scanned images copyright © 2017, Royal Society Citations and impact