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

作者：Nicken Hauke; Temps Friedrich^*; Jalviste Erko

来源：Zeitschrift fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 2011, 225(11-12): 1457-1469.

DOI：10.1524/zpch.2011.0197

• Laser Induced Fluorescence
• Dispersed Fluorescence
• Molecular Beams
• Normal Modes
• Indazole

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 S(1)((1)A') <- S(0)((1)A') 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 S(0) state vibrations are in agreement within <= 3%. The obtained results for the two la monomers form the basis for an analysis of the electronic spectra of the hydrogen-bonded dimers Ia(2)-hh, Ia(2)-dd and Ia(2)-hd and a determination of the exciton splitting in the dimer in a forthcoming paper.

• 出版日期2011