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dc.contributor.authorHumphries, Terry
dc.contributor.authorSirsch, P.
dc.contributor.authorDecken, A.
dc.contributor.authorSean McGrady, G.
dc.date.accessioned2017-01-30T12:15:58Z
dc.date.available2017-01-30T12:15:58Z
dc.date.created2016-09-12T08:36:51Z
dc.date.issued2009
dc.identifier.citationHumphries, T. and Sirsch, P. and Decken, A. and Sean McGrady, G. 2009. A structural study of bis-(trimethylamine)alane, AlH3�2NMe3, by variable temperature X-ray crystallography and DFT calculations. Journal of Molecular Structure. 923 (1-3): pp. 13-18.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/19838
dc.identifier.doi10.1016/j.molstruc.2008.12.022
dc.description.abstract

The structure of AlH3·2NMe3 has been investigated by single-crystal X-ray diffraction over the range of 296-173 K. Over this temperature range a phase change is observed from Cmca to Pbcm where the methyl groups convert from a statistically disordered conformation to adopt a mutually eclipsed conformation at lower temperatures. Measurement of the unit cell dimensions shows a decrease in the lengths of the a and b axes, and an increase in that of the c axis as the temperature is lowered, with inflections apparent between 223 and 233 K in the region of the phase change. Low-temperature DSC measurements reveal the change from Pbcm to Cmca to occur at 218.3 K, with an enthalpy of 107.7 J mol-1. The molecular structure of AlH3·2NMe3 is compared with those of related amine adducts of Group 13 hydrides, either measured experimentally or calculated using DFT methods. 1H, 13C and 27Al NMR spectroscopy has also been utilized to characterize AlH3·2NMe3 and its 1:1 counterpart AlH3·NMe3. © 2009 Elsevier B.V. All rights reserved.

dc.publisherElsevier
dc.titleA structural study of bis-(trimethylamine)alane, AlH3�2NMe3, by variable temperature X-ray crystallography and DFT calculations
dc.typeJournal Article
dcterms.source.volume923
dcterms.source.number1-3
dcterms.source.startPage13
dcterms.source.endPage18
dcterms.source.issn0022-2860
dcterms.source.titleJournal of Molecular Structure
curtin.departmentDepartment of Physics and Astronomy
curtin.accessStatusFulltext not available


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