A combined theoretical and experimental study of efficient and fast titanocene-catalyzed 3-exo cyclizations
- Author
- FRIEDRICH, Joachim1 ; DOLG, Michael1 ; GANSÄUER, Andreas2 ; GEICH-GIMBEL, Daniel2 ; LAUTERBACH, Thorsten2
[1] Institut für Theoretische Chemie der Universität zu Köln, Greinstrasse 4, 50939 Koln, Germany
[2] Kekulé-Institut für Organische Chemie und Biochemie der Universität Bonn, Gerhard Domagk Strasse 1, 53121 Bonn, Germany - Source
Journal of the American Chemical Society. 2005, Vol 127, Num 19, pp 7071-7077, 7 p ; ref : 19 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)
- Activité catalytique Calcul ab initio Catalyseur complexe Cyclopropanation Etat transition Etude expérimentale Etude théorique Mécanisme réaction Méthode fonctionnelle densité Paramètre activation Radical libre organique Réaction catalytique Réaction exothermique But-3-ényle Titanocène complexe Métal transition Complexe Titane Composé organique
- Keyword (en)
- Catalyst activity Ab initio calculations Complex catalyst Cyclopropanation Transition state Experimental study Theoretical study Reaction mechanism Density functional method Activation parameter Organic free radical Catalytic reaction Exothermic reaction Transition metal Complexes Titanium Organic compounds
- Keyword (es)
- Actividad catalítica Catalizador complejo Ciclopropanación Estado transitorio Estudio experimental Estudio teórico Mecanismo reacción Parámetro activación Radical libre orgánico Reacción catalítica Reacción exotérmica Metal transición Complejo Titanio Compuesto orgánico
- 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
- 16779589
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/ja050268w 
https://dx.doi.org/10.1021/ja050268w
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