Novel substituent effects on the mechanism of the thermal denitrogenation of 2,3-diazabicyclo[2.2.1]hept-2-ene derivatives, stepwise versus concerted
- Author
- ABE, Manabu1 ; ISHIHARA, Chizuko1 ; KAWANAMI, Satoshi1 ; MASUYAMA, Araki1
[1] Department of Applied Chemistry, Graduate School of Engineering, Osaka University (HANDAI), Suita 565-0871, Osaka, Japan - Source
Journal of the American Chemical Society. 2005, Vol 127, Num 1, pp 10-11, 2 p ; ref : 5 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)
- Composé bicyclique Diradical libre organique Désazotation Effet substituant Etat transition Etude théorique Hétérocycle azote Intermédiaire réaction Méthode MO Méthode fonctionnelle densité Orbitale frontière Paramètre activation Réaction thermique Schéma réactionnel Surface énergie potentielle 2,3-Diazabicyclo[2.2.1]hept-2-ène dérivé
- Keyword (en)
- Bicyclic compound Organic free biradical Denitrogenation Substituent effect Transition state Theoretical study Nitrogen heterocycle Reaction intermediate MO method Density functional method Frontier orbital Activation parameter Thermal reaction Reaction path Potential energy surfaces
- Keyword (es)
- Compuesto bicíclico Dirradical libre orgánico Desazotación Efecto sustituyente Estado transitorio Estudio teórico Heterociclo nitrógeno Intermediario reacción Método orbital molecular Orbital frontera Parámetro activación Reacción térmica Esquema reacciones
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03B Reactivity and mechanisms / 001C03B02 Kinetics and mechanisms
- Discipline
- Organic chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 16422487
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/ja044269k 
https://dx.doi.org/10.1021/ja044269k
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