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Volumn 131, Issue 33, 2009, Pages 11686-11688

Transition-state charge transfer reveals electrophilic, ambiphilic, and nucleophilic carbon-hydrogen bond activation

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION REACTION; ANTIBONDING ORBITAL; BOND METATHESIS; C-H ACTIVATION; C-H BOND; FUNCTIONALIZATION REACTIONS; HYDROGEN MIGRATION; LOCALIZED MOLECULAR ORBITALS; METAL CENTERS; NUCLEOPHILIC ACTIVATION; NUCLEOPHILIC CARBON; ORBITAL STABILIZATION; OXIDATIVE ADDITIONS; TRANSITION STATE;

EID: 69049101135     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja902748c     Document Type: Article
Times cited : (58)

References (43)
  • 1
    • 9644273176 scopus 로고    scopus 로고
    • Goldberg, K. I, Goldman, A. S, Eds, Oxford University Press: Washington, DC
    • (a) Activation and Functionalization of C-H Bonds; Goldberg, K. I., Goldman, A. S., Eds.; Oxford University Press: Washington, DC, 2004.
    • (2004) Activation and Functionalization of C-H Bonds
  • 2
    • 33947493717 scopus 로고    scopus 로고
    • and references therein
    • (b) Bergman, R. G. Nature 2007, 446, 391, and references therein.
    • (2007) Nature , vol.446 , pp. 391
    • Bergman, R.G.1
  • 13
    • 69049111528 scopus 로고    scopus 로고
    • The term substitution is used here as a broad and accurate description of bonding involving the metal and ligand with the C-H bond. This term encompasses so-called metathesis.
    • (a) The term "substitution" is used here as a broad and accurate description of bonding involving the metal and ligand with the C-H bond. This term encompasses so-called "metathesis".
  • 15
    • 69049089579 scopus 로고    scopus 로고
    • Jaguar, version 7.0; Schrodinger, LLC: New York, 2007
    • (a) Jaguar, version 7.0; Schrodinger, LLC: New York, 2007.
  • 17
    • 69049090597 scopus 로고    scopus 로고
    • Shao, Y, et al. Q-Chem, version 3.1; Q-Chem, Inc, Pittsburgh, PA, 2007
    • (c) Shao, Y.; et al. Q-Chem, version 3.1; Q-Chem, Inc.: Pittsburgh, PA, 2007.
  • 18
    • 69049100878 scopus 로고    scopus 로고
    • The ALMO-EDA values in Table 1 have minimal basis-set and functional dependence. See Tables S1 and S3 in the SI for B3LYP/6-311++G(d,p) and M06/6-31G(d,p) comparisons.
    • (d) The ALMO-EDA values in Table 1 have minimal basis-set and functional dependence. See Tables S1 and S3 in the SI for B3LYP/6-311++G(d,p) and M06/6-31G(d,p) comparisons.
  • 28
    • 38049125110 scopus 로고    scopus 로고
    • 5X)Me complexes.
    • 5X)Me complexes.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.