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Volumn 107, Issue 16, 2003, Pages 2875-2881

Theoretical study of reactivities in electrophilic aromatic substitution reactions: Reactive hybrid orbital analysis

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC HYDROCARBONS; BENZENE; CARBON; MOLECULAR DYNAMICS; ORGANIC CHEMICALS;

EID: 3042711769     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027330l     Document Type: Article
Times cited : (45)

References (60)
  • 11
    • 0003408677 scopus 로고
    • Bamford, C. H., Tipper, C. F. H., Eds.; Elsevier: Amsterdam
    • (a) Taylor, R In Comprehensive Chemical Kinetics; Bamford, C. H., Tipper, C. F. H., Eds.; Elsevier: Amsterdam, 1972; Vol. 13.
    • (1972) Comprehensive Chemical Kinetics , vol.13
    • Taylor, R.1
  • 51
    • 0001308931 scopus 로고    scopus 로고
    • +, the electrostatic contribution relative to the charge-transfer one to stabilization of a transition state should be large. However, the primary purpose of the analysis here is to clarify the origin of the latter that is also an important driving force of a reaction between reactant and reagent. We believe that the conclusion drawn by taking the simple model reflects the fundamental aspect of orbital interactions in aromatic systems, to which many kinds of reagents have been shown to attack. For study of substituent effects of aromatic compounds in terms of molecular electrostatic potentials, see for example ref 14 and. Gadre, S. R.; Suresh, C. H. J. Org. Chem. 1997, 62, 2625. For discussions from the HSAB viewpoint, see. for example, refs 12 and 17.
    • (1997) J. Org. Chem. , vol.62 , pp. 2625
    • Gadre, S.R.1    Suresh, C.H.2
  • 57
    • 10644275864 scopus 로고    scopus 로고
    • note
    • unoc for calculating an RHO.
  • 59
    • 10644274222 scopus 로고    scopus 로고
    • note
    • 2, see ref 4).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.