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Volumn 54, Issue 40, 1998, Pages 12279-12288

On the mechanism of the Diels-Alder reaction of enal dienophiles. Competitive reactivity and ab initio calculations using a transannular probe

Author keywords

[No Author keywords available]

Indexed keywords

ALKADIENE;

EID: 0032192375     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4020(98)00764-9     Document Type: Article
Times cited : (11)

References (38)
  • 2
    • 0342713055 scopus 로고
    • (2) For a review on mechanistic aspects of the Diels-Alder reaction, see: Sauer, J.; Sustmann, R. Angew. Chem. Int. Ed. Engl. 1980, 19, 779.
    • (1980) Angew. Chem. Int. Ed. Engl. , vol.19 , pp. 779
    • Sauer, J.R.1
  • 15
    • 0000048482 scopus 로고
    • The stereoselectivities of some intramolecular Diels-Alder (IMDA) reactions have been interpreted in terms of the "asynchronized concerted mechanism" theory, thereby constituting additional arguments in favor of this theory. For a review on the IMDA reaction and a discussion on this aspect, Edited by Trost, B.M.; Pergamon Press: Oxford
    • (11) The stereoselectivities of some intramolecular Diels-Alder (IMDA) reactions have been interpreted in terms of the "asynchronized concerted mechanism" theory, thereby constituting additional arguments in favor of this theory. For a review on the IMDA reaction and a discussion on this aspect, see: Roush, W.R. In Comprehensive Organic Synthesis, Vol. 4, Edited by Trost, B.M.; Pergamon Press: Oxford, 1991, p. 513.
    • (1991) Comprehensive Organic Synthesis , vol.4 , pp. 513
    • Roush, W.R.1
  • 27
    • 85038553457 scopus 로고    scopus 로고
    • 2OMOM)
    • 2OMOM).
  • 33
    • 85038542804 scopus 로고    scopus 로고
    • 26 transition structures. The saddle point searches were carried out in cartesian coordinates. The computed AM1 hessian matrices were fed into GAMESS. Finally, when the saddle points were located, the hessian matrices were not recomputed at the 3-21G level of theory due to system limitations. Thus zero point energies corrections could not be applied
    • 26 transition structures. The saddle point searches were carried out in cartesian coordinates. The computed AM1 hessian matrices were fed into GAMESS. Finally, when the saddle points were located, the hessian matrices were not recomputed at the 3-21G level of theory due to system limitations. Thus zero point energies corrections could not be applied.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.