Hannover 2020 – scientific programme

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MO: Fachverband Molekülphysik

MO 6: Electronic Spectroscopy II

MO 6.1: Talk

Tuesday, March 10, 2020, 14:00–14:15, f102

Determination of excited state dipole moments in solution via thermochromic methods - an overview — •Mirko Lindic, Matthias Zajonz, and Michael Schmitt — Heinrich-Heine-University, Düsseldorf

In the last years considerable effort has been invested to develop and optimize excited state dipole determinations in solution with thermochromic methods. The aim was to obtain a complete method, which incorporates the measurement and evaluation of all necessary parameters, which are the cavity volume which is occupied by the solute, the refractive index and permittivity of the solution, and the temperature dependence of the absorption and fluorescence spectra.

Additionally, all results are compared with results from quantum chemical calculations at the SCS-CC2/cc-pVTZ (COSMO) level of theory, and, if obtainable, to the results of Stark measurements from the gas phase.

An overview of all used techniques and evaluation steps will be given, including published results from the past as well as an outlook to future plans with this project.