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Intramolecular charge-transfer mechanism in quinolidines : The role of the amino twist angle

Author
HÄTTIG, Christof1 ; HELLWEG, Arnim2 ; KÖHN, Andreas3
[1] Forschungszentrum Karlsruhe, Institute of Nanotechnology, P.O. Box 3640, 76021 Karlsruhe, Germany
[2] Institut für Physikalische Chemie, Universität Karlsruhe (TH), 76128 Karlsruhe, Germany
[3] Center for Theoretical Chemistry, Department of Chemistry, Århus University, 8000 Århus, Denmark
Source

Journal of the American Chemical Society. 2006, Vol 128, Num 49, pp 15672-15682, 11 p

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)
Amine Angle torsion Barrière énergie Chimie quantique Composé fluorescent Conformation Energie totale Etat fondamental Etude comparative Etude expérimentale Etude théorique Flexibilité moléculaire Fluorescence Hétérocycle azote Molécule plane Moment dipolaire Mécanisme réaction Méthode amas couplé Nitrile Quinoléine dérivé Transfert charge intramoléculaire
Keyword (en)
Amine Twist angle Energy barrier Quantum chemistry Fluorescent compound Conformation Total energy Ground state Comparative study Experimental study Theoretical study Molecular flexibility Fluorescence Nitrogen heterocycle Planar molecule Dipole moment Reaction mechanism Coupled cluster method Nitrile Quinoline derivatives Intramolecular charge transfer
Keyword (es)
Amina Angulo torsión Barrera energía Química cuántica Compuesto fluorescente Conformación Energía total Estado fundamental Estudio comparativo Estudio experimental Estudio teórico Flexibilidad molecular Fluorescencia Heterociclo nitrógeno Molécula plana Momento dipolar Mecanismo reacción Método conglomerado acoplado Nitrilo Quinolina derivado Transferencia carga intramolecular
Classification
Pascal
001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry

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 / 001C03C06 Heterocyclic compounds / 001C03C06B Heterocyclic compounds with only one n hetero atom and condensed derivatives

Discipline
General chemistry and physical chemistry Organic chemistry
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
18340010

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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