Structures and properties of 1,7-disubstituted perylene tetracarboxylic diimides: The substitutional effect study based on density functional theory calculations

Journal of Molecular Structure

Volumn 917, Issue 2-3, 2009, Pages 133-141

  Liang, Baolong ^a   Zhang, Yuexing ^a   Wang, Yanfeng ^a   Xu, Wei ^a   Li, Xiyou ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

DFT calculation; Electronic absorption spectra; IR spectra; Perylene tetracarboxylic diimide; Substitutional effect

Indexed keywords

ABSORPTION; ATOMIC PHYSICS; ATOMIC SPECTROSCOPY; CHEMICAL BONDS; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRON AFFINITY; ELECTRON TRANSITIONS; ENERGY ABSORPTION; EXPERIMENTS; LIGHT ABSORPTION; MOLECULAR ORBITALS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SPECTRUM ANALYSIS; SULFUR COMPOUNDS;

DFT CALCULATION; ELECTRONIC ABSORPTION SPECTRA; IR SPECTRA; PERYLENE TETRACARBOXYLIC DIIMIDE; SUBSTITUTIONAL EFFECT;

DENSITY FUNCTIONAL THEORY;

EID: 58149181681     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.07.005     Document Type: Article

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