Dispersed Fluorescence Spectra of 1H- and 1D-Indazole

Hauke Nicken; Friedrich Temps; Erko Jalviste

doi:10.1524/zpch.2011.0197

Published by De Gruyter (O) December 14, 2011

Dispersed Fluorescence Spectra of 1H- and 1D-Indazole

Hauke Nicken , Friedrich Temps and Erko Jalviste

From the journal Zeitschrift für Physikalische Chemie

https://doi.org/10.1524/zpch.2011.0197

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Abstract

Dispersed fluorescence (DF) spectra of jet-cooled indazole (Ia-h) and its singly-deuterated isotopologue (Ia-d) were recorded following excitation of the origin band of the S₁(¹A´) ← S₀(¹A´) electronic transition. The spectra were analyzed and assigned with the help of vibrational frequency calculations by density functional theory (DFT) at the TPSS/aug-cc-pVTZ level. The calculated and measured S₀ state vibrations are in agreement within ≤ 3%. The obtained results for the two Ia monomers form the basis for an analysis of the electronic spectra of the hydrogen-bonded dimers Ia₂-hh, Ia₂-dd and Ia₂-hd and a determination of the exciton splitting in the dimer in a forthcoming paper.

Keywords: Laser induced fluorescence; Dispersed fluorescence; Molecular beams; Normal modes; Indazole

^* Correspondence address: Christian-Albrechts-Universität zu Kiel, Institut für Physikalische Chemie, Olshausenstr. 40, 24098 Kiel, Deutschland, temps@phc.uni-kiel.de

Published Online: 2011-12-14

Published in Print: 2011-12-1

Dispersed Fluorescence Spectra of 1H- and 1D-Indazole

Abstract

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