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Issue 16, 2011
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Exploring the thermochromism of sulfite-embedded polyoxometalate capsules

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Abstract

The Dawson-type polyanion [α-Mo18O54(SO3)2]4, with two SO32 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.

Graphical abstract: Exploring the thermochromism of sulfite-embedded polyoxometalate capsules

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Publication details

The article was received on 09 Jan 2011, accepted on 17 Feb 2011, published on 15 Mar 2011 and first published online on 15 Mar 2011


Article type: Communication
DOI: 10.1039/C1CP20074G
Citation: Phys. Chem. Chem. Phys., 2011,13, 7295-7297
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    Exploring the thermochromism of sulfite-embedded polyoxometalate capsules

    R. Tsunashima, D. Long, T. Endo, S. Noro, T. Akutagawa, T. Nakamura, R. Q. Cabrera, P. F. McMillan, P. Kögerler and L. Cronin, Phys. Chem. Chem. Phys., 2011, 13, 7295
    DOI: 10.1039/C1CP20074G

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