메뉴 건너뛰기




Volumn 49, Issue 13, 2010, Pages 2406-2409

O2activation and selective phenolate ortho hydroxylation by an unsymmetric dicopper μη1: η1-peroxido Complex

Author keywords

Bioinorganic chemistry; Dioxygen ligands; O o activation; Oxidation

Indexed keywords

BINDING ENERGY; BINS; BIOCHEMISTRY; HYDROXYLATION; OXIDATION;

EID: 77953533256     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.200906749     Document Type: Article
Times cited : (97)

References (32)
  • 1
    • 34547803345 scopus 로고    scopus 로고
    • For an special issue on dioxygen activation by metallo-enzymes and models, see Issue 7
    • a) For an special issue on dioxygen activation by metallo-enzymes and models, see W Nam, Acc. Chem. Res. 2007, 40, Issue 7;
    • (2007) Acc. Chem. Res. , vol.40
    • Nam, W.1
  • 3
    • 0004052075 scopus 로고
    • Oxford University Press, Oxford
    • D. T. Sawyer, Oxygen Chemistry, Oxford University Press, Oxford, 1991.
    • (1991) Oxygen Chemistry
    • Sawyer, D.T.1
  • 4
    • 84902417564 scopus 로고    scopus 로고
    • Eds.: L. Que, Jr., W. B. Tolman, Elsevier, Amsterdam
    • a) S. Itoh in Comprehensive Coordination Chemistry II, Vol.8 (Eds.: L. Que, Jr., W. B. Tolman), Elsevier, Amsterdam, 2004, pp. 369-393;
    • (2004) Comprehensive Coordination Chemistry II, Vol. , vol.8 , pp. 369-393
    • Itoh, S.1
  • 14
    • 85043087392 scopus 로고    scopus 로고
    • 4) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallo-graphic Data Centre via www.ccdc.cam.ac.uk/data-request/cif
    • 4) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallo-graphic Data Centre via www.ccdc.cam.ac.uk/data-request/cif
  • 18
    • 85043069390 scopus 로고    scopus 로고
    • 1 isomers: see [2b] and references within.
    • 1 isomers: see [2b] and references within.
  • 21
    • 85043092038 scopus 로고    scopus 로고
    • 3
    • 3CN under argon. See the Supporting Information for details.
  • 23
    • 85043048540 scopus 로고    scopus 로고
    • note
    • DFT geometries were optimized at the B3LYP level in junction of the SDD basis set and associated ECP for Cu, 6-311G(d) basis set for the atoms bond to Cu, and 6-31G basis set for the other atoms, as implemented in the Gaussian 03 program (see the Supporting Information). The energies were additionally refined by single-point calculations using cc-pVTZ basis set for Cu and the atoms bond to Cu, and cc-pVDZ basis set for the other atoms. Final free energies given in this work include energies computed at the B3LYP/cc-pVTZ&cc-pVDZ//B3LYP/ SDD&6-311G(d)&6-31G level of theory together with zero-point ener-gies, thermal corrections, and entropy calculated at the B3LYP/ SDD&6-311G(d) &6-31G level. The same qualitative results were also obtained with the BLYP and OPBE methods.
  • 27
    • 0037496170 scopus 로고    scopus 로고
    • 2) species as arene hydroxylating species, see: a
    • 2) species as arene hydroxylating species, see: a) P. E. M. Siegbahn, J. Biol. Inorg. Chem. 2003, 8, 567-576;
    • (2003) J. Biol. Inorg. Chem. , vol.8 , pp. 567-576
    • Siegbahn, P.E.M.1
  • 30
    • 85043086715 scopus 로고    scopus 로고
    • 2) core.
    • 2) core.
  • 32
    • 0034595323 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2000, 39, 1591-1595.
    • (2000) Angew. Chem. Int. Ed. , vol.39 , pp. 1591-1595


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.