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Volumn 49, Issue 10, 2010, Pages 4611-4619

Two-electron redox energetics in ligand-bridged dinuclear molybdenum and tungsten complexes

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; MOLYBDENUM; ORGANOMETALLIC COMPOUND; TUNGSTEN;

EID: 77952189711     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic100186v     Document Type: Article
Times cited : (26)

References (80)
  • 12
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    • Evans, D. H. Chem. Rev. 2008, 108, 2113-2144
    • (2008) Chem. Rev. , vol.108 , pp. 2113-2144
    • Evans, D.H.1
  • 15
    • 77952116937 scopus 로고    scopus 로고
    • Long, E. C. and Baldwin, M. J., Eds.; American Chemical Society: Washington, DC
    • Schultz, F. A., Lord, R. L., Yang, X., and Baik, M.-H. In ACS Symposium Series; Long, E. C. and Baldwin, M. J., Eds.; American Chemical Society: Washington, DC, 2009; Vol. 1012, pp 151-166.
    • (2009) ACS Symposium Series , vol.1012 , pp. 151-166
    • Schultz, F.A.1    Lord, R.L.2    Yang, X.3    Baik, M.-H.4
  • 47
    • 58949093182 scopus 로고    scopus 로고
    • Schrödinger, LLC: New York
    • Jaguar 7.0; Schrödinger, LLC: New York, 2007.
    • (2007) Jaguar 7.0
  • 70
  • 79
    • 77952139713 scopus 로고    scopus 로고
    • note
    • Starting with the oxidized species for a given square, it is natural to view reduction partitioned into vertical electron attachment (step a) followed by structural relaxation (step b), which takes place on the upper triangle of the square. The lower triangle involves a spontaneous structural deformation that is well-defined numerically but lacks physical motivation. Conversely, if we start with the reduced species (bottom right corner of i or ii), the lower triangle now becomes most meaningful by viewing oxidation as vertical ionization (step d) followed by structural relaxation (step c). All energy differences are referenced from left to right and from top to bottom.
  • 80
    • 77952185050 scopus 로고    scopus 로고
    • note
    • Computed with ΔG (sol)′: E ° = -1.501, -1.422, -0.724, and -0.732 V for 1 - 4, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.