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Volumn 50, Issue 30, 2011, Pages 6809-6813

The inherent competition between addition and substitution reactions of Br2 with benzene and arenes

Author keywords

aromatic hydrocarbons; bromine; density functional calculations; electrophilic substitution; reaction mechanisms

Indexed keywords

COMPUTATIONAL EXPLORATION; DENSITY-FUNCTIONAL CALCULATIONS; ELECTROPHILIC SUBSTITUTIONS; REACTION MECHANISM; SUBSTITUTION PRODUCTS;

EID: 79960283267     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201101852     Document Type: Article
Times cited : (45)

References (44)
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    • Gaussian 09, revision A. 02, Gaussian, Inc., Wallingford CT, 2009. See the Supporting Information for full reference
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    • Frisch, M.J.1
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    • 0037236391 scopus 로고    scopus 로고
    • No tight ion pair arenium ion minimum was located computationally by, W. B. Smith, J. Phys. Org. Chem. 2003, 16, 34-39, either in isolation or in simulated acetic acid medium; his ion-pair models (3 and 4) only were idealized.
    • (2003) J. Phys. Org. Chem. , vol.16 , pp. 34-39
    • Smith, W.B.1
  • 43
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    • -1 stabilization energy), detected experimentally by Kochi and co-workers (see, S. R. Gwaltney, S. V. Rosokha, M. Head-Gordon, J. K. Kochi, J. Am. Chem. Soc. 2003, 125, 3273-3283) and by Olah and co-workers (see Ref. [2b]) is not essential mechanistically here. For the latest discussion of the debatable direct involvement of such π complexes on the reaction path, see
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 3273-3283
    • Gwaltney, S.R.1    Rosokha, S.V.2    Head-Gordon, M.3    Kochi, J.K.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.