On the mechanism of the photoinduced magnetism in copper octacyanomolybdates
- 1 July 2010
- journal article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- Vol. 46 (31), 5737-5739
- https://doi.org/10.1039/c0cc00792g
Abstract
Ab initio calculations show that a possible mechanism for the photomagnetism in copper octacyanomolybdate compounds consists of the initial excitation of the diamagnetic CuII –MoIV –CS pair to a CuII –MoIV-T state, whose geometry relaxation stabilizes the magnetic doublet and quartet states.Keywords
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