Understanding ground- and excited-state properties of perylene tetracarboxylic acid bisimide crystals by means of quantum chemical computations

Journal of the American Chemical Society

Volumn 131, Issue 43, 2009, Pages 15660-15668

  Zhao, Hong Mei ^a   Pfister, Johannes ^a   Settels, Volker ^a   Renz, Manuel ^a   Kaupp, Martin ^a   Dehm, Volker C ^a   Würthner, Frank ^a   Fink, Reinhold F ^a   Engels, Bernd ^a  

^a UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION MAXIMA; BINDING STRENGTH; CRYSTAL PACKINGS; DISPERSION INTERACTION; ELECTRONIC DEVICE; ELECTROSTATIC INTERACTIONS; EXCITED-STATE PROPERTIES; INTERMOLECULAR POTENTIAL ENERGY; MINIMUM STRUCTURES; ON TIME; ORGANIC SOLAR CELL; PERYLENE TETRACARBOXYLIC; PHOTON ENERGY; QUANTUM CHEMICAL; QUANTUM CHEMICAL COMPUTATIONS; VISIBLE LIGHT ABSORPTION;

ABSORPTION; DIMERS; ELECTRON TRANSITIONS; EXCITED STATES; PAINT; PHOTOVOLTAIC CELLS; QUANTUM THEORY; SOLAR CELLS;

DENSITY FUNCTIONAL THEORY;

3,4:9,10 PERYLENE TETRACARBOXYLIC ACID BISIMIDE DERIVATIVE; CARBOXYLIC ACID DERIVATIVE; DIMER; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DISPERSION; ELECTRICITY; ELECTRONICS; LIGHT ABSORPTION; PHOTON; QUANTUM CHEMISTRY; SOLID STATE; X RAY;

CRYSTALLIZATION; IMIDES; MODELS, MOLECULAR; PERYLENE; QUANTUM THEORY; STATIC ELECTRICITY;

EID: 70350633934     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja902512e     Document Type: Article

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