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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Monatshefte für Chemie 128 (1997), S. 105-112 
    ISSN: 1434-4475
    Keywords: Absorption/fluorescence properties ; Molecular structure ; Perylene tetracarboxylic derivatives ; Vibronic structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Theoretische Molekülgeometrien der Perylen-Derivate 3,4,9,10-Perylentetracarbonsäuredianhydrid (PTCDA), 3,4,9,10-Perylentetracarbonsäurediimid (PTCDI), N,N′-Dimethyl-3,4,9,10-Perylentetracarbonsäurediimid (MePTCDI) und 3,4,9,10-Perylentetracarbonsäuredisulfid (PTCDS) für die elektronischen ZuständeS 0 undS 1 werden vorgestellt. Auf dieser Grundlage können die elektronischen Absorptionseigenschaften interpretiert und mit experimentellen Daten verglichen werden. Die vibronische Struktur derS 0 →S 1-Absorption und derS 1 →S 2-Fluoreszenz konnte reproduziert werden. Die Analyse der aktiven Schwingungsmoden zeigen ein gegenüber Perylen vergleichbares Verhalten der Derivate.
    Notes: Summary Theoretical molecular geometries of the perylene derivatives 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA), 3,4,9,10-perylene tetracarboxylic diimide (PTCDI), N,N′-dimethyl 3,4,9,10-perylene tetracarboxylic diimide (MePTCDI), and 3,4,9,10-perylene tetracarboxylic disulfide (PTCDS) are presented for the electronic statesS 0 andS 1. On this basis, the electronic absorption properties can be interpreted and compared with experimentel data. The vibronic structure ofS 0 →S 1 absorption andS 1 →S 0 fluorescence has been reproduced. The analysis of the active vibrational modes shows a corresponding behaviour of derivatives and perylene.
    Type of Medium: Electronic Resource
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