Determination of a solvent hydrogen-bond acidity scale by means of the solvatochromism of pyridinium-N-phenolate betaine dye 30 and PCM-TD-DFT calculations

Journal of Physical Chemistry B

Volumn 118, Issue 17, 2014, Pages 4605-4614

  Cerón Carrasco, José P ^a,b   Jacquemin, Denis ^a,c   Laurence, Christian ^a   Planchat, Aurélien ^a   Reichardt, Christian ^d   Sraïdi, Khadija ^e  

^a UNIVERSITÉ DE NANTES   (France)

^b UNIVERSITY OF MURCIA   (Spain)

^c INSTITUT UNIVERSITAIRE DE FRANCE   (France)

^d PHILIPPS UNIVERSITY MARBURG   (Germany)

^e FACULTÉ DES SCIENCES   (Morocco)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDROGEN;

ELECTRONIC TRANSITION ENERGIES; EMPIRICAL PARAMETERS; LINEAR CORRELATION; POLARIZABLE CONTINUUMS; SOLUTE PROPERTIES; SOLVATOCHROMISMS; SOLVENT PARAMETER; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

SOLVENTS;

BETAINE; COLORING AGENT; GLYCEROL; PYRIDINIUM DERIVATIVE; SOLVENT;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; QUANTUM THEORY;

BETAINE; COLORING AGENTS; GLYCEROL; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PYRIDINIUM COMPOUNDS; QUANTUM THEORY; SOLVENTS;

EID: 84899890372     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp501534n     Document Type: Article

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