Document Detail


Electronic and EPR spectra of the species involved in [W(10)O(32)](4-) photocatalysis. A relativistic DFT investigation.
MedLine Citation:
PMID:  23338044     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
The decatungstate anion [W(10)O(32)](4-) is widely used as a photocatalyst in different transformations, during which it undergoes one-electron reduction to [W(10)O(32)](5-), possibly protonated; the bi-reduced species [W(10)O(32)](6-) is obtained by ensuing disproportionation. Relativistic DFT calculations were used to predict the UV-VIS spectra and EPR parameters of all such species.
Authors:
Davide Ravelli; Daniele Dondi; Maurizio Fagnoni; Angelo Albini; Alessandro Bagno
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2013-1-22
Journal Detail:
Title:  Physical chemistry chemical physics : PCCP     Volume:  -     ISSN:  1463-9084     ISO Abbreviation:  Phys Chem Chem Phys     Publication Date:  2013 Jan 
Date Detail:
Created Date:  2013-1-22     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  100888160     Medline TA:  Phys Chem Chem Phys     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
Affiliation:
PhotoGreen Lab, Department of Chemistry, University of Pavia, viale Taramelli 12, 27100 Pavia, Italy.
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