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Rearrangement of 1,3-dipolar cycloadducts derived from bis(phenylazo)stilbene : A DFT level mechanistic investigation

Author
SURESH, Cherumuttathu H1 ; RAMAIAH, Danaboyina2 ; GEORGE, Manapurathu V2 3
[1] Computational Modeling and Simulation Section, Chemical Sciences and Technology Division, Regional Research Laboratory (CSIR), Trivandrum 695 019, India
[2] Photosciences and Photonics Section, Chemical Sciences and Technology Division, Regional Research Laboratory (CSIR), Trivandrum 695 019, India
[3] Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore 560 064, India
Source

Journal of organic chemistry. 2007, Vol 72, Num 2, pp 367-375, 9 p ; ref : 40 ref

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)
Acrylonitrile Acétylène dérivé Alcyne Composé acétylénique Composé azoïque Composé benzénique Composé modèle Composé éthylénique Cycle 5 chaînons Cycloaddition dipolaire 1,3 Cétone Dipolarophile Délocalisation électronique Effet solvant Energie activation Energie libre Etat transition Ethylène Haute température Hétérocycle azote Imide Ion amphotère Mécanisme réaction Méthode fonctionnelle densité Potentiel électrostatique Stilbène dérivé Structure électronique Séparation charge Transposition chimique Triazine dérivé
Keyword (en)
Acrylonitrile Acetylene derivatives Alkyne Acetylenic compound Azo compound Benzenic compound Model compound Ethylenic compound Five membered ring 1,3-Dipolar cycloaddition Ketone Dipolarophile Electron delocalization Solvent effect Activation energy Free energy Transition state Ethylene High temperature Nitrogen heterocycle Imide Zwitterion Reaction mechanism Density functional method Electrostatic potential Stilbene derivatives Electronic structure Charge separation Chemical rearrangement Triazine derivatives
Keyword (es)
Acrilonitrilo Acetileno derivado Alquino Compuesto acetilénico Compuesto azoico Compuesto bencénico Compuesto modelo Compuesto etilénico Ciclo 5 eslabones 1,3-Dipolar cicloadición Cetona Dipolarófilo Deslocalización electrónica Efecto solvente Energía activación Energía libre Estado transitorio Etileno Alta temperatura Heterociclo nitrógeno Imida Ión anfotérico Mecanismo reacción Potencial electrostático Estilbeno derivado Estructura electrónica Separación carga Transposición química Triazina 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 / 001C03C03 Noncondensed benzenic compounds

Pascal
001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry / 001C03C Preparations and properties / 001C03C06 Heterocyclic compounds / 001C03C06C Heterocyclic compounds with several n hetero atoms in the same ring, in separated rings or in fused rings

Discipline
Organic chemistry
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
18453441

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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