Conformational isomerism of electroactive calix[4]arenes : Influence of the electronic state in the flexibility of thiophene-containing calix[4]arene
- Author
- ALEMAN, Carlos1 ; ZANUY, David1 ; CASANOVAS, Jordi2
[1] Departament d'Enginyeria Química, E. T. S. d'Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, Barcelona 08028, Spain
[2] Departament de Química, Escola Politècnica Superior, Universitat de Lleida, c/Jaume II No. 69, Lleida 25001, Spain - Source
Journal of organic chemistry. 2006, Vol 71, Num 18, pp 6952-6957, 6 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)
- Calixarène Composé aromatique Composé modèle Conformation Diol Déprotonation Etat oxydé Etat électronique Flexibilité moléculaire Groupe hydroxyle Hétérocycle soufre Isomérie rotation Milieu neutre Modèle moléculaire Mécanique quantique Mécanisme réaction Méthode ab initio Méthode fonctionnelle densité Oligomère Oxydation Structure électronique Thiophène dérivé Calix[4]arène dérivé [14]Métacyclophane dérivé
- Keyword (en)
- Calixarene Aromatic compound Model compound Conformation Diol Deprotonation Oxidized state Electron state Molecular flexibility Hydroxyl group Sulfur heterocycle Rotational isomerism Neutral medium Molecular model Quantum mechanics Reaction mechanism Ab initio method Density functional method Oligomer Oxidation Electronic structure Thiophene derivatives
- Keyword (es)
- Calixareno Compuesto aromático Compuesto modelo Conformación Diol Desprotonación Estado oxidado Estado electrónico Flexibilidad molecular Grupo hidróxilo Heterociclo azufre Isomería rotación Medio neutro Modelo molecular Mecánica cuántica Mecanismo reacción Método ab initio Oligómero Oxidación Estructura electrónica Tiofeno derivado
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03B Reactivity and mechanisms / 001C03B02 Kinetics and mechanisms
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03C Preparations and properties / 001C03C05 Alicyclic compounds, terpenoids, prostaglandins, steroids / 001C03C05A Alicyclic compounds
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03C Preparations and properties / 001C03C06 Heterocyclic compounds / 001C03C06A Heterocyclic compounds with o, s, se, te hetero atom and condensed derivatives
- Discipline
- Organic chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 18074028
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/jo061062w 
https://dx.doi.org/10.1021/jo061062w
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