Journal
CHEMICAL COMMUNICATIONS
Volume 46, Issue 31, Pages 5737-5739Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0cc00792g
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Funding
- Generalitat de Catalunya [SGR2009-462]
- Spanish Ministerio de Ciencia e Innovacion [CQT-2008-06644-C02-01]
- MAC Juan de la Cierva
- ICREA Funding Source: Custom
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Ab initio calculations show that a possible mechanism for the photomagnetism in copper octacyanomolybdate compounds consists of the initial excitation of the diamagnetic Cu-II-MoIV-CS pair to a Cu-II-MoIV-T state, whose geometry relaxation stabilizes the magnetic doublet and quartet states.
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