Determination of a Solvent Hydrogen-Bond Acidity Scale by Means of the Solvatochromism of Pyridiniurn-N-phenolate Betaine Dye 30 and PCM-TD-DFT Calculations

Empirical parameters of solvents describing their hydrogen-bond (HB) acidity (e.g., the Kamlet-Taft alpha parameter) are often difficult to determine for new solvents because they are not directly related to a single definition process. Here, we propose a simple method based on one probe, the betain...

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Veröffentlicht in:	The journal of physical chemistry. B 2014-05, Vol.118 (17), p.4605-4614
Hauptverfasser:	Ceron-Carrasco, Jose P., Jacquemin, Denis, Laurence, Christian, Planchat, Aurélien, Reichardt, Christian, Sraidi, Khadija
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences
Online-Zugang:	Volltext
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