Two states are not enough: Quantitative evaluation of the valence-bond intramolecular charge-transfer model and its use in predicting bond length alternation effects

Chemistry - A European Journal

Volumn 20, Issue 51, 2014, Pages 17214-17221

  Jarowski, Peter D ^a   Mo, Yirong ^b  

^a UNIVERSITY OF SURREY   (United Kingdom)

^b Department of Chemistry University of Western Michigan   (United States)

Author keywords

Block localized wavefunction; Bond length alternation; Intramolecular charge transfer; Push pull chromophore; Valence bond theory

Indexed keywords

CHARGE TRANSFER; CHROMOPHORES; EXCITED STATES; FINITE DIFFERENCE METHOD; GROUND STATE; RESONANCE;

BOND LENGTH ALTERNATION; CHARGE TRANSFER MODEL; INTRA-MOLECULAR CHARGE TRANSFER; INTRAMOLECULAR CHARGE TRANSFERS; PUSH-PULL CHROMOPHORES; QUANTITATIVE ASSESSMENTS; QUANTITATIVE EVALUATION; VALENCE BOND THEORY;

BOND LENGTH;

EID: 84915747936     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201404978     Document Type: Article

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