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Haas, Yehuda ; Zilberg, S. ; Dick, Bernhard

Conical intersections and the electronic structure of the excited states of N-phenyl pyrrole - a prototype molecule exhibiting dual fluorescence

Haas, Yehuda, Zilberg, S. and Dick, Bernhard (2008) Conical intersections and the electronic structure of the excited states of N-phenyl pyrrole - a prototype molecule exhibiting dual fluorescence. Polish Journal of Chemistry 82 (4), pp. 773-793.

Date of publication of this fulltext: 05 Aug 2009 13:50
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Item typeArticle
Journal or Publication TitlePolish Journal of Chemistry
Volume:82
Number of Issue or Book Chapter:4
Page Range:pp. 773-793
Date2008
Additional Information (public)CAN 148:471497 22-9 Physical Organic Chemistry 1197-19-9 (DMABN) Role: PRP (Properties) (N-phenylpyrrole vs.; conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.); 635-90-5 (N-Phenylpyrrole) Role: PRP (Properties) (conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.); 71-43-2D (Benzene) Role: PRP (Properties) (model for; conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.)
InstitutionsChemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick
Identification Number
ValueType
2008:453121Other
KeywordsRadical ions (anions, conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.); Charge transfer state; Dipole moment; Electronic structure; Excited singlet state; Internal rotation; MCSCF; Potential energy hypersurface; Rotamers; Substituent effects (conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.); Fluorescence (dual, conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.); Conformational transition (internal rotation, conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.); Electron transfer (intramol., conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.); Jahn-Teller effect (quasi-, conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.); Bond angle (torsional, conical intersections and electronic structure of excited states of N-phenylpyrrole as prototypical dual fluorescence mol.); conical intersection electronic structure phenylpyrrole prototype mol exhibiting fluorescence
Dewey Decimal Classification500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgPartially
Item ID5551

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