Exploring the thermochromism of sulfite-embedded polyoxometalate capsules

Tsunashima, R., Long, D.L. , Noro, S., Akutagawa, T., Nakamura, T. and Quesada, R. (2011) Exploring the thermochromism of sulfite-embedded polyoxometalate capsules. Physical Chemistry Chemical Physics, 13(16), pp. 7295-7297. (doi: 10.1039/C1CP20074G)

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Publisher's URL: http://dx.doi.org/10.1039/C1CP20074G


The Dawson-type polyanion [α-Mo<sub>18</sub>O<sub>54</sub>(SO<sub>3</sub>)<sub>2</sub>]<sup>4−</sup>, with two SO<sub>3</sub><sup>2−</sup> templates embedded inside a polyoxomolybdate(VI) cage, exhibits thermochromism over an exceptionally wide temperature range (500 K). The temperature dependence of the cluster structure, established from X-ray crystallography, IR and Raman spectroscopy and DFT calculations, is related to a decreasing HOMO–LUMO gap in the near UV with increasing temperature. We postulate this is due to geometrical changes that affect both the occupied and unoccupied frontier molecular orbitals of this cluster anion.

Item Type:Articles
Glasgow Author(s) Enlighten ID:Tsunashima, Dr Ryo and Long, Dr Deliang
Authors: Tsunashima, R., Long, D.L., Noro, S., Akutagawa, T., Nakamura, T., and Quesada, R.
Subjects:Q Science > QD Chemistry
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Physical Chemistry Chemical Physics
Publisher:Royal Society of Chemistry
ISSN (Online):1463-9084
Published Online:15 March 2011
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