Vinyl-vinyl coupling on late transition metals through C-C reductive elimination mechanism. A computational study
- Author
- ANANIKOV, Valentine P1 2 ; MUSAEV, Djamaladdin G2 ; MOROKUMA, Keiji2
[1] N. D. Zelinsky Institute of Organic Chemistry, RAS, Leninsky Prospect 47, Moscow 117913, Russian Federation
[2] Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States - Source
Journal of the American Chemical Society. 2002, Vol 124, Num 11, pp 2839-2852
- 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
- Russian
- Keyword (fr)
- Calcul ab initio Complexe ammino Complexe halogéno Complexe vinyl Copulation chimique Effet solvant Effet stérique Etat transition Etude théorique Méthode fonctionnelle densité Paramètre activation Rhodium Complexe Réduction chimique Schéma réactionnel Structure moléculaire Surface énergie potentielle Métal transition Complexe Platinoïde Complexe Rhodium Composé organique
- Keyword (en)
- Ab initio calculations Ammino complex Halo complex Vinyl complex Chemical coupling Solvent effect Steric effect Transition state Theoretical study Density functional method Activation parameter Rhodium Complexes Chemical reduction Reaction path Molecular structure Potential energy surfaces Transition metal Complexes Platinoid Complexes Rhodium Organic compounds
- Keyword (es)
- Complejo ammina Complejo halógeno Complejo vinil Copulación química Efecto solvente Efecto estérico Estado transitorio Estudio teórico Parámetro activación Rodio Complejo Reducción química Esquema reacciones Estructura molecular Metal transición Complejo Platinoide Complejo Rodio Compuesto orgánico
- 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
- 13560266
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/ja017476i 
https://dx.doi.org/10.1021/ja017476i
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