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URN: urn:nbn:de:kobv:517-opus-13075
URL: http://opus.kobv.de/ubp/volltexte/2007/1307/

Dosche, Carsten ; Kumke, Michael U. ; Ariese, F. ; Bader, A. N. ; Gooijer, C. ; Dosa, P. I. ; Han,S. ; Miljanic, O. S. ; Vollhardt, K. Peter C. ; Puchta, R. ; Eikema Hommes, N. J. R. van

Shpol’skii spectroscopy and vibrational analysis of [N]phenylenes

Dokument 1.pdf (208 KB)

Kurzfassung in Englisch

Vibrationally resolved fluorescence spectra of four angular [N]phenylenes were recorded with laser excited Shpol’skii spectroscopy (LESS) in an n-octane matrix at 10 K. In general, the same vibrational frequencies were observed in the fluorescence excitation and emission spectra, indicating that the geometries of ground and electronically excited state are very similar. Because of intensity borrowing from the S2 state, vibrations of two different symmetries were observed in the fluorescence excitation spectra of angular [3]phenylene and zig-zag[5]phenylene. This finding allowed the location of the S2 state for these compounds. DFT calculations(RB3LYP/6-31G*) of the ground state vibrational frequencies were made. The calculated vibrational modes were in reasonably good agreement with the experimental data. A new very low-frequency vibration of
approximately 100 cm-1 was predicted and experimentally confirmed for all [N]phenylenes investigated. This vibration seems to be unique for [N]phenylenes and is attributed to an in-plane movement of the carbon backbone.

Collection: Universität Potsdam / Aufsätze (Pre- und Postprints) / Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie / Physikalische Chemie
Institut: Institut für Chemie
DDC-Sachgruppe: Chemie
Dokumentart: c Postprint
Schriftenreihe: Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe, ISSN 1866-8372
Bandnummer: paper 024
Quelle: Physical chemistry, chemical physics : PCCP ; a journal of European chemical societies. - ISSN 1463-9076. - 5 (2003), p. 4563–4569
Sprache: Deutsch
Erstellungsjahr: 2003
Publikationsdatum: 13.04.2007
first published in:
Physical chemistry, chemical physics : PCCP ; a journal of European chemical societies. - ISSN 1463-9076. - 5 (2003), S. 4563–4569
doi: 10.1039/b308036f
Reproduced by permission of the PCCP Owner Societies

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