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Volumn 20, Issue 13, 2001, Pages 2813-2819

Insertion aptitudes and insertion regiochemistry of various alkenes coordinated to cationic (σ-R)(diimine)palladium(II) (R = -CH3, -C6H5). A theoretical study

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; OLEFINS; POLYMERIZATION; PROBABILITY DENSITY FUNCTION;

EID: 0035948513     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om000926f     Document Type: Article
Times cited : (88)

References (38)
  • 1
    • 0033750413 scopus 로고    scopus 로고
    • For two extensive recent reviews of the field see:
    • For two extensive recent reviews of the field see: (a) Ittel, S. D.; Johnson, L. K.; Brookhart, M. Chem. Rev. 2000, 100, 1169.
    • (2000) Chem. Rev. , vol.100 , pp. 1169
    • Ittel, S.D.1    Johnson, L.K.2    Brookhart, M.3
  • 28
    • 0011501571 scopus 로고    scopus 로고
    • For details about the basis set of palladium, see the Supporting Information.
  • 30
    • 85087583304 scopus 로고    scopus 로고
    • 3), see ref 3a.
  • 31
    • 0003598092 scopus 로고
    • note; Applied Science Publishers Ltd: London, U.K.
    • 3]- are very similar. Hartly, F. R. The Chemistry of Platinum and Palladium; Applied Science Publishers Ltd: London, U.K., 1973; p 377.
    • (1973) The Chemistry of Platinum and Palladium , pp. 377
    • Hartly, F.R.1
  • 32
    • 0011456979 scopus 로고    scopus 로고
    • note; Unpublished results
    • In a theoretical study of the insertion of propene into the Pd-Ph bond for a series of different types of diimine ligands, steric factors dominate the regioselectivity. von Schenck, H.; Svensson, M. Unpublished results.
    • Von Schenck, H.1    Svensson, M.2
  • 34
    • 0011459441 scopus 로고    scopus 로고
    • note
    • The LUMO of both 1a and 1b is in essence a π* MO located on the diimine ligand. The LUMO+1, involved in the binding with the alkenes, is a 5s4d-hybrid centered on the metal.
  • 38
    • 85087584376 scopus 로고    scopus 로고
    • note
    • 3 0.51.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.