Determination of excited state dipole moments in solution via thermochromic methods

MethodsX
Mirko Matthias LindicMichael Schmitt

Abstract

The method basically combines the existing ideas of excited state dipole moment determination via thermochromic fluorescence spectroscopy with the determination of the solvent cavity volume via concentration dependent density measurements of the solution densities at different weight fractions. Additionally, the determination of the cavity volume in dependence of the solvent temperature is included here, which provides a better accuracy of the excited state dipole moment determination. With this step two major sources of errors are eliminated: the use of the very imprecise Onsager radius and the assumption, that the cavity size is temperature independent.•Thermochromic absorption and fluorescence spectroscopy.•Cavity volume determination by density measurements.•Temperature dependent cavity volume determination.

References

Apr 21, 2005·Physical Chemistry Chemical Physics : PCCP·O DesyatnykZ Kisiel
Dec 7, 2010·The Journal of Physical Chemistry. B·Alberto MariniBenedetta Mennucci
Aug 9, 2011·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·A Kawski, P Bojarski
Feb 2, 2016·The Journal of Chemical Physics·Josefin WilkeMichael Schmitt
Mar 12, 2016·Journal of Chemical Theory and Computation·Simon BudzakDenis Jacquemin
Jun 22, 2016·Physical Chemistry Chemical Physics : PCCP·Galina V LoukovaVladimir I Minkin
Oct 27, 2018·Data in Brief·Mirko Matthias LindicMichael Schmitt
Nov 22, 2019·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Mirko Matthias LindicMichael Schmitt

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Methods Mentioned

BETA
fluorescence spectroscopy

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