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Orbital Mechanism of the Specific Effect of a Polar Solvent in Optical Absorption Spectra
Bulletin of the Russian Academy of Sciences: Physics Pub Date : 2020-06-15 , DOI: 10.3103/s1062873820050366
E. E. Tseplin , S. N. Tseplina , O. G. Khvostenko

Abstract

The optical absorption spectra of a number of compounds containing carbonyl groups in solutions of n-hexane and methanol are considered. It is shown that the specific effect of the polar solvent is due to the formation of hydrogen bonds between the solvent molecules and within the molecule under study. As a result, we observe a change in the energy gap between the corresponding occupied and unoccupied molecular orbitals.


中文翻译:

极性溶剂在光吸收光谱中的特定作用的轨道机理

摘要

许多包含以溶液羰基的化合物的光学吸收光谱Ñ正己烷和甲醇被认为是。结果表明,极性溶剂的特殊作用是由于在溶剂分子之间以及所研究的分子内部形成了氢键。结果,我们观察到相应的占据和未占据分子轨道之间的能隙变化。
更新日期:2020-06-15
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