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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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