Theoretical predictions of red and near-infrared strongly emitting X-annulated rylenes

Journal of Chemical Physics

Volumn 134, Issue 7, 2011, Pages

  Peng, Qian ^a   Niu, Yingli ^a   Wang, Zhaohui ^a   Jiang, Yuqian ^b   Li, Yan ^a   Liu, Yajun ^c   Shuai, Zhigang ^a,b  

^a INSTITUTE OF CHEMISTRY   (China)

^b TSINGHUA UNIVERSITY   (China)

^c BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; CONJUGATED CHAIN; CORRELATION FUNCTION; CROSSOVER BEHAVIOR; EMISSION COLOR; EMISSION SPECTRUMS; EVEN-PARITY; HETEROATOM BRIDGES; HETEROATOMS; MOLECULAR DESIGN; MULTI REFERENCE CONFIGURATION INTERACTIONS; NEAR INFRARED; NEAR-INFRARED RANGE; NONRADIATIVE DECAY RATE; ODD-PARITY; PERYLENES; TERRYLENE; THEORETICAL PREDICTION;

CHAIN LENGTH; DECAY (ORGANIC); EMISSION SPECTROSCOPY; EXCITED STATES; FLUORESCENCE; INFRARED DEVICES; MOLECULAR ORBITALS; OPTICAL PROPERTIES; ORGANIC POLYMERS;

DENSITY FUNCTIONAL THEORY;

ANTHRACENE DERIVATIVE; PERYLENE; POLYCYCLIC AROMATIC HYDROCARBON; TERRYLENE;

ABSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COLOR; CONFORMATION; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY;

ABSORPTION; ANTHRACENES; COLOR; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PERYLENE; POLYCYCLIC HYDROCARBONS, AROMATIC; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED;

EID: 79951894373     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3549143     Document Type: Article

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