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.
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.
Similar content being viewed by others
References
So FF, Forrest SR (1988) J Appl Phys63 (2): 442
Zang DY, So FF, Forrest SR (1991) Appl Phys Lett59: 823
Haskal EI, Shen Z, Burrows PE, Forrest SR (1995) Phys Rev B51 (7): 4449
Ludwig C, Gompf B, Petersen J, Strohmaier R, Eisenmenger W (1994) Z Phys B93: 365
Ludwig C, Gompf B, Glatz W, Petersen J, Eisenmenger W, Möbus M, Zimmermann U, Karl N (1992) Z Phys B86: 397
Schmidt A, Schuerlein TJ, Collins GE, Armstrong NR (1995) J Phys Chem99: 11770
Forrest SR, Burrows PE, Haskal EI, So FF (1994) Phys Rev B49 (16): 11309
Akers K, Aroca R (1987) J Phys Chem91: 2954
Akers K, Aroca R, Hor AM, Loutfy RO (1988) Spectrochim Acta44a (11): 1129
Camerman A, Trotter J (1963) Proc Roy SocA279: 129
Birks JB (1970) Photophysics of Aromatic Molecules. Wiley, New York
Gustav K, Seydenschwanz C (1986) J Prakt Chem328 (5/6): 879
Holl N, Port H, Wolf HC, Strobel H, Effenberger F (1993) Chem Phys176: 215
Warshel A, Karplus M (1972) J Am Chem Soc94: 5612
Warshel A, Dauber P (1977) J Chem Phys66: 5477
Gustav K, Storch M, Jung C (1989) Acta Phys PolonA76: 883
Gustav K (1991) Acta Phys Polon80: 521
Gustav K, Elsäßer K, Port H, Sigmund E (in preparation)
Stein SE, Rabinovitch BS (1973) J Chem Phys58: 2438
Friedrich J, Metz F, Dörr F (1975) Mol Phys30: 289
Jung C, Kawski A, Zukowska MI (1979) Z Naturforsch34a: 105
Lovinger AJ, Forrest SR, Kaplan ML, Schmidt PH, Venkatestan T (1984) J Appl Phys55: 476
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Gustav, K., Leonhardt, M. & Port, H. Theoretical investigations on absorption and fluorescence of perylene and its tetracarboxylic derivatives. Monatsh Chem 128, 105–112 (1997). https://doi.org/10.1007/BF00807299
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF00807299