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Catalytic alcohol oxidation by an unsymmetrical 5-coordinate copper complex: electronic structure and mechanism.

Abstract:

Density functional theory reveals the detailed mechanism of alcohol oxidation by a model copper complex, Cu(II)L, L = cis-1-(3',5'-dimethoxy-benzylideneamino)-3,5-[2-hydroxy-(3',5'-di-tert-butyl)benzylideneimino]cyclohexane. Despite the obvious structural and functional parallels between the title compound and the enzyme galactose oxidase, the details of the catalytic pathway are fundamentally different. In the enzyme, coordination of the substrate produces an active form containing a Cu(II) ...

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Publication status:
Published

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Publisher copy:
10.1039/b512298h

Authors


Walton, PH More by this author
McGrady, JE More by this author
Journal:
Dalton transactions (Cambridge, England : 2003)
Issue:
1
Pages:
159-167
Publication date:
2006-01-05
DOI:
EISSN:
1477-9234
ISSN:
1477-9226
URN:
uuid:9980791f-78e7-468a-b7ee-bb27720e16e4
Source identifiers:
50438
Local pid:
pubs:50438
Language:
English

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