Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.
نویسندگان
چکیده
The Dawson-type polyanion [α-Mo(18)O(54)(SO(3))(2)](4-), with two SO(3)(2-) 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.
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ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 13 16 شماره
صفحات -
تاریخ انتشار 2011