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Volumn , Issue 18, 2009, Pages 3036-3044

An analysis of the regioselectivity of 1,3-Dipolar cycloaddition reactions of benzonitrile N-Oxides based on global and local electrophilicity and nucleophilicity indices

Author keywords

Cycloaddition; Electrophilicity; Heterocyeles; Nitrile n oxides; Nucleophilicity; Regioselectivity

Indexed keywords


EID: 66749109267     PISSN: 1434193X     EISSN: 10990690     Source Type: Journal    
DOI: 10.1002/ejoc.200900213     Document Type: Article
Times cited : (80)

References (68)
  • 44
    • 66749113577 scopus 로고    scopus 로고
    • The Fukui functions can also be evaluated by using the finite difference approximation in terms of the cationic, neutral and anionic electronic densities. However, under this approximation, the Fukui functions of these NBOs yielded, negative values (data not reported, here), avoiding an appropriate rationalization of the regioselectivity of selected, systems. These negative values can be traced, back to the larger electronic relaxation effects expected, in these systems.
    • The Fukui functions can also be evaluated by using the finite difference approximation in terms of the cationic, neutral and anionic electronic densities. However, under this approximation, the Fukui functions of these NBOs yielded, negative values (data not reported, here), avoiding an appropriate rationalization of the regioselectivity of selected, systems. These negative values can be traced, back to the larger electronic relaxation effects expected, in these systems.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.