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Volumn 128, Issue 21, 2006, Pages 6952-6964

Quantitative structure-activity relationships of ruthenium catalysts for olefin metathesis

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; CATALYSTS; CORRELATION METHODS; ELECTRONS; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION; RUTHENIUM; TRANSITION METALS;

EID: 33744903918     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja060832i     Document Type: Article
Times cited : (202)

References (148)
  • 4
    • 1442360753 scopus 로고    scopus 로고
    • Grubbs, R. H., Ed.; Wiley-VCH: Weinheim
    • Handbook of Metathesis; Grubbs, R. H., Ed.; Wiley-VCH: Weinheim, 2003.
    • (2003) Handbook of Metathesis
  • 98
  • 99
    • 0038762733 scopus 로고    scopus 로고
    • Wavefunction, Inc.: Irvine, CA
    • Spartan'02; Wavefunction, Inc.: Irvine, CA, 2002.
    • (2002) Spartan'02
  • 114
    • 33744914456 scopus 로고    scopus 로고
    • The MathWorks Inc.: Natick, MA
    • MATLAB, version 7.0.4; The MathWorks Inc.: Natick, MA, 2004.
    • (2004) MATLAB, Version 7.0.4
  • 118
    • 33744942498 scopus 로고    scopus 로고
    • note
    • 2 double bond in addition to two Ru-Cl single bonds and one Ru-L single bond.
  • 119
    • 33744939850 scopus 로고    scopus 로고
    • note
    • 2 moiety defined for the Ru alkylidene complexes. For the ligand L, all the valence electrons were used, including those of the Ru-L bond.
  • 127
    • 33744923058 scopus 로고    scopus 로고
    • note
    • 298 = 36.4 kcal/mol) 15-20 kcal/mol lower than those of contemporary carbene ligands used in Grubbs ruthenium catalysts for olefin metathesis.
  • 128
    • 33744933824 scopus 로고    scopus 로고
    • PhD Thesis, Technische Universität München, Munich
    • Weskamp, T. PhD Thesis, Technische Universität München, Munich, 1999.
    • (1999)
    • Weskamp, T.1
  • 131
    • 33744917693 scopus 로고    scopus 로고
    • note
    • 2Ru=CHPh.
  • 136
    • 0041464227 scopus 로고    scopus 로고
    • The back-donation to phosphines may be underestimated since the NBO method does not include 3d orbitals in the preselected valence space of phosphorus, as discussed in Frenking, G.; Frölich, N. Chem. Rev. 2000, 100, 717.
    • (2000) Chem. Rev. , vol.100 , pp. 717
    • Frenking, G.1    Frölich, N.2
  • 148
    • 33744913400 scopus 로고    scopus 로고
    • note
    • 2IMes, suggesting that the catalyst complexes of A39-A42 should have stabilities comparable to those of contemporary Grubbs catalysts for olefin metathesis. The synthesis of the predicted catalysts based on A39-A42 is currently being pursued in our laboratories.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.