Thioindigo dyes: Highly accurate visible spectra with TD-DFT

Journal of the American Chemical Society

Volumn 128, Issue 6, 2006, Pages 2072-2083

  Jacquemin, Denis ^a   Preat, Julien ^a   Wathelet, Valérie ^a   Fontaine, Michèle ^a   Perpète, Eric A ^a  

^a UNIVERSITY OF NAMUR   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMOPHORES; CONFORMATIONS; DERIVATIVES; ISOMERS; POLARIZATION; SULFUR COMPOUNDS;

CHEMICAL SUBSTITUTION; CONTINUUM MODEL; THIOINDIGO DYES;

DYES;

BENZENE; CARBONYL DERIVATIVE; DYE; SELENIUM DERIVATIVE; SOLVENT; THIAZINE DERIVATIVE; THIOINDIGO DYE; UNCLASSIFIED DRUG;

ACCURACY; ANALYTICAL ERROR; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CIS TRANS ISOMERISM; COLOR; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY; LINEAR SYSTEM; OSCILLATION; REPRODUCIBILITY; SOLVENT EFFECT; SPECTROSCOPY; SPECTRUM; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VIBRATION;

COLORING AGENTS; INDOLES; MODELS, CHEMICAL; MODELS, MOLECULAR; THIAZINES;

EID: 33244485834     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja056676h     Document Type: Article

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