Beyond exciton theory: A time-dependent DFT and Franck-Condon study of perylene diimide and its chromophoric dimer

Journal of the American Chemical Society

Volumn 129, Issue 24, 2007, Pages 7586-7595

  Clark, Aurora E ^a   Qin, Changyong ^a   Li, Alexander D Q ^a  

^a WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITON THEORY; FOLDING DYNAMICS; FRANCK-CONDON (FC) FACTORS; VIBRATIONAL COUPLING; VIBRONIC BANDS;

CHROMOPHORES; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; EXCITED STATES; MOLECULAR VIBRATIONS; OLIGOMERS;

AMIDES;

DIMER; IMIDE; MONOMER; OLIGOMER; PERYLENE DIIMIDE; PERYLENE TETRACARBOXYLIC DIIMIDE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; COVALENT BOND; DENSITY FUNCTIONAL THEORY; GEOMETRY; OPTICAL ROTATION; ULTRAVIOLET SPECTROSCOPY; VIBRATION;

EID: 34250854007     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0687724     Document Type: Article

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