Significant conformational changes associated with molecular transport in a crystalline solid

Marti-Rujas, Javier, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Desmedt, Arnaud and Guillaume, François 2006. Significant conformational changes associated with molecular transport in a crystalline solid. Journal of Physical Chemistry B 110 (22) , pp. 10708-10713. 10.1021/jp060738o

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Abstract

Confocal Raman microspectrometry has been applied as an in situ probe of the transport of guest molecules along the one-dimensional tunnels in a crystalline urea inclusion compound, under conditions of guest exchange in which “new” guest molecules (pentadecane) are introduced at one end of the tunnel and displace the “original” guest molecules (1,8-dibromooctane). The Raman spectra, recorded as a function of position along the tunnel direction and as a function of time, demonstrate that the transport process is associated with a significant change in the conformational properties of the original (1,8-dibromooctane) guest molecules. In particular, in the boundary region between the original and new guest molecules, there is a substantial increase in the proportion of 1,8-dibromooctane guest molecules that have the gauche end-group conformation. The wider implications of this observation are discussed in relation to fundamental aspects of the molecular transport process in this material.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Subjects:	Q Science > QD Chemistry
Publisher:	Springer
ISSN:	1990-7931
Last Modified:	18 Oct 2022 13:10
URI:	https://orca.cardiff.ac.uk/id/eprint/12771

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