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Competing radical and non-radical pathways for the decomposition of LFeII(H2O2) complexes: a density functional study

Abstract:
Density functional theory has been used to explore the mechanism of hydrogen peroxide decomposition when coordinated to a bispidone iron(II) complex. Two quite distinct pathways are identified, one involving O-O bond homolysis followed by a "rebound" hydrogen atom abstraction, the other involving proton transfer followed by O-O bond heterolysis. A water molecule in the second coordination sphere plays a key role in both pathways. © Wiley-VCH Verlag GmbH and Co. KGaA, 2007.
Publication status:
Published

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Publisher copy:
10.1002/ejic.200600786
Journal:
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY More from this journal
Volume:
2007
Issue:
1
Pages:
65-73
Publication date:
2007-01-01
DOI:
EISSN:
1099-0682
ISSN:
1434-1948
Language:
English
Keywords:
Pubs id:
pubs:50425
UUID:
uuid:24f8ddb6-6d13-4992-9e90-faa8db2026ce
Local pid:
pubs:50425
Source identifiers:
50425
Deposit date:
2012-12-19

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