Lindic Mirko Matthias, Zajonz Matthias, Hebestreit Marie-Luise, Schneider Michael, Meerts W Leo, Schmitt Michael
Heinrich-Heine-Universität, Institut für Physikalische Chemie I, D-40225 Düsseldorf, Germany.
Radboud University, Institute for Molecules and Materials, Felix Laboratory, Toernooiveld 7c, 6525 ED Nijmegen, the Netherlands.
MethodsX. 2020 Oct 18;7:101101. doi: 10.1016/j.mex.2020.101101. eCollection 2020.
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.
该方法基本上将通过热致变色荧光光谱法测定激发态偶极矩的现有思路与通过对不同重量分数下溶液密度进行浓度依赖性密度测量来测定溶剂腔体积的方法相结合。此外，这里还包括了根据溶剂温度测定腔体积，这提高了激发态偶极矩测定的准确性。通过这一步骤，消除了两个主要误差来源：使用非常不精确的昂萨格半径以及假设腔尺寸与温度无关。
•热致变色吸收和荧光光谱法。
•通过密度测量确定腔体积。
•与温度相关的腔体积测定。
