Spectroscopic and theoretical study of the molecular and electronic structures of a terthiophene-based quinodimethane
- Author
- CASADO, Juan1 ; PAPPENFUS, Ted M2 ; MANN, Kent R2 ; ORTI, Enrique3 ; VIRUELA, Pedro M3 ; MILIAN, Begona3 ; HERNANDEZ, Victor1 ; LOPEZ NAVARRETE, Juan T1
[1] Departamento de Quimica Fisica, Universidad de Málaga, 29071 Málaga, Spain
[2] Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, United States
[3] Institut de Ciencia Molecular, Universitat de València, 46100 Burjassot (València), Spain - Source
ChemPhysChem (Print). 2004, Vol 5, Num 4, pp 529-539, 11 p ; ref : 56 ref
- Publisher
- Wiley, Weinheim
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Author keyword
- density functional calculation electronic spectroscopy oligothiophenes thin films vibrational spectroscopy
- Keyword (fr)
- Composé organique Cristal moléculaire Densité électron Etude expérimentale Etude théorique Interaction intermoléculaire Longueur liaison Méthode fonctionnelle densité Nitrile Spectre IR Spectre Raman Spectre UV visible Spectre absorption Spectrométrie transformée Fourier Structure moléculaire Structure électronique Thiophène dérivé Transition vibrationnelle 2,2p:5p,2s-Terthiophène(5,5s-bis[dicyanométhylène]-3p,4p-dibutyl)
- Keyword (en)
- Organic compounds Molecular crystals Electron density Experimental study Theoretical study Intermolecular interaction Bond lengths Density functional method Nitriles Infrared spectra Raman spectra Ultraviolet visible spectrum Absorption spectra Fourier transform spectroscopy Molecular structure Electronic structure Thiophene derivatives Vibrational transition
- Keyword (es)
- Interacción intermolecular Espectro UV visible Tiofeno derivado Transición vibracional
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15E Density-functional theory
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C20 Molecular spectra / 001B30C20E Infrared spectra
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C20 Molecular spectra / 001B30C20K Visible spectra
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C20 Molecular spectra / 001B30C20L Ultraviolet spectra
- Pacs
- 3320K Visible spectra
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 15644145
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
10.1002/cphc.200300963 
https://dx.doi.org/10.1002/cphc.200300963
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