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Volumn 3, Issue 4, 1997, Pages 592-600

Nature of the interactions between polar β-substituents and palladium in η3-allylpalladium complexes - A combined experimental and theoretical study

Author keywords

allyl complexes; chemoselectivity; density functional calculations; regioselectivity; stereoelectronic control; substituent effects

Indexed keywords


EID: 0030898249     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.19970030415     Document Type: Article
Times cited : (28)

References (79)
  • 2
    • 0342801275 scopus 로고
    • Eds.: E. W. Abel, F. G. A. Stone, G. Wilkinson and R. J. Puddephatt, Elsevier, New York, Chapt. 6
    • J. A. Davies, in Comprehensive Organometallic Chemistry II; Vol.9 (Eds.: E. W. Abel, F. G. A. Stone, G. Wilkinson and R. J. Puddephatt), Elsevier, New York, 1995, Chapt. 6.
    • (1995) Comprehensive Organometallic Chemistry II , vol.9
    • Davies, J.A.1
  • 3
    • 0000276556 scopus 로고
    • Eds.: B. M. Trost and I. Flemming, Pergamon Press, New York, Chapt. 3.3
    • S. A. Godleski, in Comprehensive Organic Synthesis; Vol. 4 (Eds.: B. M. Trost and I. Flemming), Pergamon Press, New York, 1991, Chapt. 3.3.
    • (1991) Comprehensive Organic Synthesis , vol.4
    • Godleski, S.A.1
  • 55
    • 85036440288 scopus 로고    scopus 로고
    • note
    • Exponents for the d functions: C, 0.630; O, 1.154; P, 0.340; Cl, 0.514; Pd (diffuse d function), 0.0628.
  • 66
    • 0004273321 scopus 로고    scopus 로고
    • Eds.: I. Prigogine and S. A. Rice, Wiley, New York
    • P. E. Siegbahn, in Advances in Chemical Physics; Vol.43 (Eds.: I. Prigogine and S. A. Rice), Wiley, New York, 1996, pp. 333.
    • (1996) Advances in Chemical Physics , vol.43 , pp. 333
    • Siegbahn, P.E.1
  • 77
    • 85036440467 scopus 로고    scopus 로고
    • note
    • Employment of the B 3 PW 91 hybrid functional in the SCRF calculations leads to severe convergence problems. The radii of the spherical solvent cavities are calculated from the gas-phase molecular volume of the complexes.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.