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Volumn 17, Issue 26, 1998, Pages 5801-5809

N-heterocyclic carbene, silylene, and germylene complexes of MCl (M = Cu, Ag, Au). A theoretical study

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EID: 54949156850     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om980394r     Document Type: Article
Times cited : (316)

References (110)
  • 1
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    • Theoretical Studies of Organometallic Compounds
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    • Theoretical Studies of Organometallic Compounds. 33. Part 32: Dapprich, S.; Frenking, G. Z. Anorg. Allg. Chem. 1998, 624, 583.
    • (1998) Z. Anorg. Allg. Chem. , vol.624 , Issue.32 PART , pp. 583
    • Dapprich, S.1    Frenking, G.2
  • 11
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    • note
    • 10,11,13
  • 15
    • 54949107570 scopus 로고    scopus 로고
    • Hofmann, P. In ref 3a, p 113f
    • Hofmann, P. In ref 3a, p 113f.
  • 51
    • 0004050551 scopus 로고
    • Academic Press, Inc.: New York
    • Kirmse, W. Carbene Chemistry; Academic Press, Inc.: New York, 1971; Vol. 1.
    • (1971) Carbene Chemistry , vol.1
    • Kirmse, W.1
  • 83
    • 0004241711 scopus 로고
    • University of Marburg, The program is available via an anonymous ftp server
    • Dapprich, S.; Frenking, G. CDA 2.1. University of Marburg, 1994. The program is available via an anonymous ftp server: ftp.chemie.uni-marburg.de/pub/ cda.
    • (1994) CDA 2.1
    • Dapprich, S.1    Frenking, G.2
  • 92
    • 54949099096 scopus 로고    scopus 로고
    • Ph.D. Thesis, University of Marburg
    • Boehme, C. Ph.D. Thesis, University of Marburg, 1998.
    • (1998)
    • Boehme, C.1
  • 105
    • 54949086670 scopus 로고    scopus 로고
    • note
    • 62 The measured dipole moment is the resulting vector along the C-O axis from the 3-dimensional charge distribution, which has a significant concentration at oxygen in the π-region. The charge distribution of the σ-symmetric HOMO of CO, which has its largest extension at the more diffuse carbon end, over-compensates, because of its shape, the higher charge concentration at the more compact oxygen atom.
  • 107
    • 54949083293 scopus 로고    scopus 로고
    • note
    • The germanium complexes have not been analyzed because the ECP at Ge may lead to erronous results for the topological analysis of the electron density distribution.
  • 108
    • 34250074666 scopus 로고
    • A similar reasoning was previously suggested by Siegbahn to explain the trends in transition metal-ligand bond strength: (a) Siegbahn, P. E. M. Theor. Chim. Acta 1993, 86, 219.
    • (1993) Theor. Chim. Acta , vol.86 , pp. 219
    • Siegbahn, P.E.M.1


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