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Volumn 128, Issue 49, 2006, Pages 15637-15643

Density functional theory studies on the mechanism of the reduction of CO2 to CO catalyzed by copper(I) boryl complexes

Author keywords

[No Author keywords available]

Indexed keywords

BORON; CARBON MONOXIDE; CHEMICAL BONDS; COMPLEXATION; COPPER; PROBABILITY DENSITY FUNCTION;

EID: 33845382259     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja063671r     Document Type: Article
Times cited : (197)

References (86)
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    • For a review, see; Maseras, F., Lledós, A., Eds.; Kluwer Academic Publishers: Amsterdam
    • For a review, see: (d) Huang, X.; Lin, Z. Y. In Computational Modeling of Homogeneous Catalysis; Maseras, F., Lledós, A., Eds.; Kluwer Academic Publishers: Amsterdam, 2002; pp 189-212.
    • (2002) Computational Modeling of Homogeneous Catalysis , pp. 189-212
    • Huang, X.1    Lin, Z.Y.2
  • 55
    • 17444395097 scopus 로고    scopus 로고
    • Shibasaki, M., Yamamoto, Y., Eds.: Wiley-VCH: Weinheim, Germany
    • (a) Shibasaki, M., Yamamoto, Y., Eds. Multimetallic Catalysts in Organic Synthesis: Wiley-VCH: Weinheim, Germany, 2004.
    • (2004) Multimetallic Catalysts in Organic Synthesis
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    • 0035323783 scopus 로고    scopus 로고
    • (b) Arakawa, H.; et al. Chem. Rev. 2001, 101, 953.
    • (2001) Chem. Rev. , vol.101 , pp. 953
    • Arakawa, H.1
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    • 33845427252 scopus 로고    scopus 로고
    • note
    • 2CBpin bonding mode. Such a structural isomer does not correspond to a local minimum on the potential energy surface.
  • 78
    • 33748047505 scopus 로고    scopus 로고
    • The nucleophilicity feature of a boryl ligand on copper was also found in our preliminary calculations on the diboration of aldehydes catalyzed by (NHC)CuBpin. For the relevant experimental catalytic study, see: Laitar, D. S.; Tsui, E. Y.; Sadighi, J. P. J. Am. Chem. Soc. 2006, 128, 11036.
    • (2006) J. Am. Chem. Soc. , vol.128 , pp. 11036
    • Laitar, D.S.1    Tsui, E.Y.2    Sadighi, J.P.3
  • 79
    • 0034339877 scopus 로고    scopus 로고
    • Nucleophilic copper boryl complexes have been proposed as intermediates in Cu-promoted conjugate addition reactions: Takahashi, K.; Ishiyama, T.; Miyaura, N. Chem. Lett. 2000, 982.
    • (2000) Chem. Lett. , pp. 982
    • Takahashi, K.1    Ishiyama, T.2    Miyaura, N.3
  • 83
    • 33749592368 scopus 로고    scopus 로고
    • An especially nucleophilic lithium boryl complex has recently been reported: Segawa, Y.; Yamashita, M.; Nozaki, K. Science 2006, 314, 113.
    • (2006) Science , vol.314 , pp. 113
    • Segawa, Y.1    Yamashita, M.2    Nozaki, K.3
  • 84
    • 33749672745 scopus 로고    scopus 로고
    • See also
    • See also: Marder, T. B. Science 2006, 314, 69.
    • (2006) Science , vol.314 , pp. 69
    • Marder, T.B.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.