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Volumn 129, Issue 13, 2007, Pages 3955-3965

Spectroscopic, computational, and kinetic studies of the μ4-sulfide-bridged tetranuclear CuZ cluster in N 2O reductase: pH effect on the edge ligand and its contribution to reactivity

Author keywords

[No Author keywords available]

Indexed keywords

COPPER COMPOUNDS; DICHROISM; NITROGEN OXIDES; PARAMAGNETIC RESONANCE; PH EFFECTS; REACTION KINETICS; SPECTROSCOPIC ANALYSIS;

EID: 34247140223     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja068059e     Document Type: Article
Times cited : (48)

References (52)
  • 19
    • 34247164008 scopus 로고    scopus 로고
    • Z species of the current study.
    • Z species of the current study.
  • 36
    • 34247134520 scopus 로고    scopus 로고
    • Z species.
    • Z species.
  • 38
    • 34247169034 scopus 로고    scopus 로고
    • Gaussian, Inc, Wallingford, CT
    • Frisch, M. J.; et al. Gaussian 03, Revision C.02; Gaussian, Inc.; Wallingford, CT, 2004.
    • (2004) Gaussian 03, Revision , Issue.C.02
    • Frisch, M.J.1
  • 42
    • 33044497893 scopus 로고    scopus 로고
    • Department of Chemistry, York University: Toronto, ON
    • Gorelsky, S. I. SWizard; Department of Chemistry, York University: Toronto, ON, 1999 (http://www.sg-chem.net).
    • (1999) SWizard
    • Gorelsky, S.I.1
  • 47
    • 34247107982 scopus 로고    scopus 로고
    • 1, Department of Chemistry, York University: Toronto, ON
    • Gorelsky, S. 1. AOMix Software Package; Department of Chemistry, York University: Toronto, ON, 1998 (http://www.sg-chem.net).
    • (1998) AOMix Software Package
    • Gorelsky, S.1
  • 49
    • 34247129067 scopus 로고    scopus 로고
    • In ref 26, a more significant change in MCD bands 4, 8, 9, and 10 was observed with increase in pH. However, this change appears to reflect a 10-15% contribution from oxidized CuA
    • A.
  • 50
    • 34247170812 scopus 로고    scopus 로고
    • Z in the mostly Cu 3d-based β-LUMO. Non-coordinated S cannot contribute intensity to the pre-edge.
    • Z in the mostly Cu 3d-based β-LUMO. Non-coordinated S cannot contribute intensity to the pre-edge.
  • 51
    • 34247130859 scopus 로고    scopus 로고
    • e1 at the B3LYP level, in vacuum).
    • e1 at the B3LYP level, in vacuum).
  • 52
    • 34247108587 scopus 로고    scopus 로고
    • The data at pH 9 have been simulated using a double-exponential expression, taking into account the different rates of reduction of the low-pH form and the high-pH form.
    • The data at pH 9 have been simulated using a double-exponential expression, taking into account the different rates of reduction of the low-pH form and the high-pH form.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.