Central-atom size effects on the methyl torsions of group XIV tetratolyls

Simple item page
dc.contributor.authorNg, MCCen_AU
dc.contributor.authorHarper, JBen_AU
dc.contributor.authorStampfl, APJen_AU
dc.contributor.authorKearley, GJen_AU
dc.contributor.authorRols, Sen_AU
dc.contributor.authorStride, JAen_AU
dc.date.accessioned2014-06-12T05:34:04Zen_AU
dc.date.available2014-06-12T05:34:04Zen_AU
dc.date.issued2012-10-01en_AU
dc.date.statistics2014-06-12en_AU
dc.description.abstractThe Group XIV tetratolyl series X(C6H4-CH3)4 (X=C, Si, Ge, Sn, Pb) were studied by using inelastic neutron scattering to measure the low-energy phonon spectra to directly access the methyl-group torsional modes. The effect of increased molecular radius as a function of the size of the central atom was shown to have direct influence on the methyl dynamics, reinforced with the findings of molecular dynamics and contact surface calculations, based upon the solid-state structures. The torsional modes in the lightest analogue were found to be predominantly intramolecular: the Si and Ge analogues have a high degree of intermolecular methylmethyl group interactions, whilst the heaviest analogues (Sn and Pb) showed pronounced intermolecular methyl interactions with the whole phonon bath of the lattice modes. © 2012, Wiley-VCH Verlag GmbH & Co. KGaAen_AU
dc.identifier.citationNg, M. C. C., Harper, J. B., Stampfl, A. P. J., Kearley, G. J., Rols, S., & Stride, J. A. (2012). Central-atom size effects on the methyl torsions of group XIV tetratolyls. Chemistry - A European Journal, 18(41), 13018-13024. doi:10.1002/chem.201202105en_AU
dc.identifier.govdoc4576en_AU
dc.identifier.issn0947-6539en_AU
dc.identifier.issue41en_AU
dc.identifier.journaltitleChemistry - A European Journalen_AU
dc.identifier.pagination13018-13024en_AU
dc.identifier.urihttp://dx.doi.org/10.1002/chem.201202105en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/5688en_AU
dc.identifier.volume18en_AU
dc.language.isoenen_AU
dc.publisherWiley-V C H Verlag GMBHen_AU
dc.subjectScatteringen_AU
dc.subjectNeutronsen_AU
dc.subjectCrystalsen_AU
dc.subjectDensity functional methoden_AU
dc.subjectMetalsen_AU
dc.subjectCrystal latticesen_AU
dc.titleCentral-atom size effects on the methyl torsions of group XIV tetratolylsen_AU
dc.typeJournal Articleen_AU
Files
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Journal Articles