Issue 12, 2003
From the journal:

Physical Chemistry Chemical Physics

The S1 state geometry of phenol determined by simultaneous Franck–Condon and rotational constants fits

Daniel Spangenberg,†a   Petra Imhof‡a  and  Karl Kleinermanns*a  

* Corresponding authors

a Institut für Physikalische Chemie, Universitätsstraße 26.43.02, Düsseldorf
E-mail: kleinermanns@uni-duesseldorf.de

Abstract

We describe a program for Franck–Condon simulations of dispersed fluorescence spectra obtained from excitation of single vibronic fundamental, overtone and combination levels. The S1 state geometry of phenol has been determined by a simultaneous fit of the geometry to the vibronic intensities and effective rotational constants in the harmonic limit based on ab initio force constants.

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Article information

DOI
https://doi.org/10.1039/B301228J
Article type
Paper
Submitted
03 Feb 2003
Accepted
29 Apr 2003
First published
20 May 2003

Phys. Chem. Chem. Phys., 2003,5, 2505-2514

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The S1 state geometry of phenol determined by simultaneous Franck–Condon and rotational constants fits

D. Spangenberg, P. Imhof and K. Kleinermanns, Phys. Chem. Chem. Phys., 2003, 5, 2505 DOI: 10.1039/B301228J

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