Theoretical study of structure, electronic properties, and photophysics of cyano-substituted thiophenes and terthiophenes

Journal of Physical Chemistry A

Volumn 112, Issue 43, 2008, Pages 10931-10938

  Šolc, Roland ^a   Lukeś, Vladimír ^a   Klein, Erik ^a   Griesser, Markus ^b   Kelterer, Anne Marie ^b  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^b GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC PROPERTIES; ENERGY BARRIERS; EXCITATION ENERGY; ORGANIC POLYMERS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SULFUR COMPOUNDS; THIOPHENE;

AB INITIO; ABSORPTION MAXIMUMS; AROMATIC RINGS; BATHOCHROMIC SHIFTS; OSCILLATOR STRENGTHS; PERPENDICULAR ORIENTATIONS; PHOTOPHYSICS; QUANTUM CHEMICAL CALCULATIONS; TERTHIOPHENE; TERTHIOPHENES; TORSIONAL DEPENDENCES; TRANS CONFORMATIONS;

DENSITY FUNCTIONAL THEORY;

CYANIDE; TERTHIENYL; THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; PHOTOCHEMISTRY; STEREOISOMERISM;

COMPUTER SIMULATION; CYANIDES; ELECTRONS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PHOTOCHEMISTRY; STEREOISOMERISM; THIOPHENES;

EID: 55949115816     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp805629u     Document Type: Article

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