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Volumn 119, Issue 8, 1997, Pages 1948-1953

A theoretical study of stereochemistry of 1,3-migration in allylsilane and related allylmetallic compounds

Author keywords

[No Author keywords available]

Indexed keywords

ALLYL COMPOUND; ORGANOMETALLIC COMPOUND; SILANE DERIVATIVE;

EID: 0030935177     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9630506     Document Type: Article
Times cited : (30)

References (36)
  • 10
    • 1842284284 scopus 로고    scopus 로고
    • note
    • (b) A similar analysis of the CI wave function for 1,3-methyl migration of 1-butene shows relatively large contribution from the HOMOLUMO doubly excited configuration (the coefficient of 0.14 for both transition states with retention and inversion of configuration), while the contribution from singly excited configurations is negligibly small (the coefficient of 0.04 only for the transition state with inversion which has extremely higher activation barrier than the other transition states calculated in this paper). Thus, transition structures for the 1,3-methyl migration can be considered as well-describable by a single determinant wave function.
  • 19
    • 1842280369 scopus 로고
    • Ph.D. Dissertation, University of Georgia
    • (b) Frierson, M. R. Ph.D. Dissertation, University of Georgia 1984.
    • (1984)
    • Frierson, M.R.1
  • 22
    • 1842275506 scopus 로고    scopus 로고
    • Detailed geometrical parameters are given in Supporting Information
    • Detailed geometrical parameters are given in Supporting Information.
  • 24
    • 0007627741 scopus 로고
    • Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon Press: Oxford
    • 4 are reported to be 85.6, 74.4, 59.5, and 51.9 kcal/mol for M = C, Si, Ge, and Sn, respectively (Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon Press: Oxford, 1982; Vol. 1, p 5.
    • (1982) Comprehensive Organometallic Chemistry , vol.1 , pp. 5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.