caa a22 4500 469038926 CHVBK 20180323132804.0 cr unu---uuuuu 170328e19920101xx s 000 0 ger 10.1007/BF01045297 doi (NATIONALLICENCE)springer-10.1007/BF01045297 Vibronisches Spektralverhalten von Molekülen: XX. Theoretische Untersuchung der S2←S0-Absorption des Pyrens im Rahmen der Herzberg-Teller-Näherung erster Ordnung [Elektronische Daten] Kurze Mitteilung [Klaus Gustav, Michael Storch] Vibronic spectral behaviour of molecules: XX. Theoretical investigation of the S2←S0 absorption of pyrene within the framework of first-order Herzberg-Teller approach (short commun.) Summary: On the basis of the completely-optimized S0 and S2 molecular geometries of pyrene the vibrational structure of the electronic S2←S0 transition was calculated within both the Condon approach and the first-order Herzberg-Teller approach. The theoretical results demonstrate the significant influence of vibronic coupling. An analysis of the active vibrational modes is given. The theory-experiment comparison within the Herzberg-Teller approach is satisfactory. Springer-Verlag, 1992 Pyrene nationallicence Absorption nationallicence Vibronic spectral behaviour nationallicence Herzberg-Teller approach nationallicence Gustav Klaus Institut für Physikalische Chemie, Friedrich-Schiller-Universität Jena, D-O-6900, Jena, Bundesrepublik Deutschland aut Storch Michael Institut für Physikalische Chemie, Friedrich-Schiller-Universität Jena, D-O-6900, Jena, Bundesrepublik Deutschland aut Monatshefte für Chemie / Chemical Monthly Springer-Verlag 123/1-2(1992-01-01), 59-62 0026-9247 123:1-2<59 1992 123 706 https://doi.org/10.1007/BF01045297 text/html Onlinezugriff via DOI 1 brief-communication jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01045297 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Gustav Klaus Institut für Physikalische Chemie, Friedrich-Schiller-Universität Jena, D-O-6900, Jena, Bundesrepublik Deutschland aut NATIONALLICENCE 700 1- Storch Michael Institut für Physikalische Chemie, Friedrich-Schiller-Universität Jena, D-O-6900, Jena, Bundesrepublik Deutschland aut NATIONALLICENCE 773 0- Monatshefte für Chemie / Chemical Monthly Springer-Verlag 123/1-2(1992-01-01), 59-62 0026-9247 123:1-2<59 1992 123 706 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer