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
Abstract
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 |
|---|---|
| Status: | Published |
| Refereed: | Yes |
| 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: | 1463-9076 |
| ISSN (Online): | 1463-9084 |
| Published Online: | 15 March 2011 |
| Related URLs: |
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