Thermodynamic and strain effects in the competition between 5-exo-dig and 6-endo-dig cyclizations of vinyl and aryl radicals
- Author
- ALABUGIN, Igor V1 ; MANOHARAN, Mariappan1
[1] Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306, United States - Source
Journal of the American Chemical Society. 2005, Vol 127, Num 36, pp 12583-12594, 12 p ; ref : 54 ref
- CODEN
- JACSAT
- ISSN
- 0002-7863
- Scientific domain
- Biochemistry, molecular biology, biophysics; Chemistry; Organic chemistry; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Aryle Barrière énergie Cyclisation Effet stérique Effet substituant Etat transition Etude théorique Méthode CAS SCF Méthode MO Méthode fonctionnelle densité Orbitale frontière Paramètre activation Paramètre thermodynamique Radical libre organique Réaction concurrente Réaction intramoléculaire Réaction radicalaire Schéma réactionnel Vinyle
- Keyword (en)
- Aryl Energy barrier Cyclization Steric effect Substituent effect Transition state Theoretical study CAS SCF method MO method Density functional method Frontier orbital Activation parameter Thermodynamic parameter Organic free radical Competitive reaction Intramolecular reaction Free radical reaction Reaction path
- Keyword (es)
- Arilo Barrera energía Ciclización Efecto estérico Efecto sustituyente Estado transitorio Estudio teórico Método CAS SCF Método orbital molecular Orbital frontera Parámetro activación Parámetro termodinámico Radical libre orgánico Reacción concurrente Reacción intramolecular Reacción radicalar Esquema reacciones
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03B Reactivity and mechanisms / 001C03B04 Free radicals chemistry
- Discipline
- Organic chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 17112980
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/ja052677y 
https://dx.doi.org/10.1021/ja052677y
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