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http://hdl.handle.net/10553/121188
| Title: | Exploring the thermochromism of sulfite-embedded polyoxometalate capsules | Authors: | Tsunashima, Ryo Long, De-Liang Endo, Toru Noro, Shin-ichiro Akutagawa, Tomoyuki Nakamura, Takayoshi Quesada Cabrera, Raúl McMillan, Paul F. Kogerler, Paul Cronin, Leroy |
UNESCO Clasification: | 230321 Compuestos organometálicos 221031 Termoquímica 221304 Altas temperaturas |
Issue Date: | 2011 | Journal: | Physical Chemistry Chemical Physics | Abstract: | The Dawson-type polyanion [α-Mo18O54(SO 3)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. | URI: | http://hdl.handle.net/10553/121188 | ISSN: | 1463-9076 | DOI: | 10.1039/c1cp20074g | Source: | Physical Chemistry Chemical Physics [ISSN 1463-9076], v. 13(16), p. 7295-7297 |
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