A theoretical study of the competitive homolytic/heterolytic aniomesolytic cleavages of C-O alkyl ether bonds
- Author
- ASENSIO, Xavier1 ; GONZALEZ-LAFONT, Angels1 ; MARQUET, Jordi1 ; LLUCH, José M1
[1] Departament de Química, Universitat Autónoma de Barcelona, 08193 Bellaterra, Barcelona, Spain - Source
Journal of organic chemistry. 2005, Vol 70, Num 2, pp 540-548, 9 p
- CODEN
- JOCEAH
- ISSN
- 0022-3263
- Scientific domain
- Biochemistry, molecular biology, biophysics; Organic chemistry
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Barrière énergie Clivage Composé benzylique Composé benzénique Composé nitro Energie libre Gibbs Energie potentielle Entropie Etat transition Ether Etude théorique Fragmentation Homolyse Hétérolyse Méthode fonctionnelle densité Nitrile Orbitale moléculaire Paramètre thermodynamique Phase gazeuse Radical libre anionique Réaction intramoléculaire Structure moléculaire Structure électronique Transfert électron Vitesse réaction
- Keyword (en)
- Energy barrier Cleavage Benzylic compound Benzenic compound Nitro compound Gibbs free energy Potential energy Entropy Transition state Ether Theoretical study Fragmentation Homolysis Heterolysis Density functional method Nitrile Molecular orbital Thermodynamic parameter Gas phase Radical anion Intramolecular reaction Molecular structure Electronic structure Electron transfer Reaction rate
- Keyword (es)
- Barrera energía Clivaje Compuesto benzílico Compuesto bencénico Compuesto nitro Energía libre Gibbs Energía potencial Entropía Estado transitorio Eter Estudio teórico Fragmentación Homólisis Heterolisis Nitrilo Orbital molecular Parámetro termodinámico Fase gaseosa Radical libre aniónico Reacción intramolecular Estructura molecular Estructura electrónica Transferencia electrón Velocidad reacción
- 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
- 16440030
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/jo040208t 
https://dx.doi.org/10.1021/jo040208t
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