Some clusters of Reichardt’s dye with two ion pairs have been studied at the TD-DFT level in order to understand the effect of the ionic liquid anion on solvatochromism. Coherently with the experimental data, the anion effect results substantially related to the anion size, although generally less important than the cation effect. Only small anions, such as halogenides, show a significant effect.
A computational study of the effect of ionic liquid anions on Reichardt’s dye solvatochromism
Pomelli, Christian Silvio;Chiappe, Cinzia
2018-01-01
Abstract
Some clusters of Reichardt’s dye with two ion pairs have been studied at the TD-DFT level in order to understand the effect of the ionic liquid anion on solvatochromism. Coherently with the experimental data, the anion effect results substantially related to the anion size, although generally less important than the cation effect. Only small anions, such as halogenides, show a significant effect.File in questo prodotto:
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