Theoretical study on the influence of ancillary ligand on the energy and optical properties of heteroleptic phosphorescent Ir(III) complexes

Journal of Luminescence

Volumn 131, Issue 6, 2011, Pages 1158-1163

  Yang, Baozhu ^a,c   Zhang, Min ^b,c   Zhang, Hongxing ^c   Sun, Jia Zhong ^c  

^a CHANGZHOU UNIVERSITY   (China)

^b CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^c JILIN UNIVERSITY   (China)

Author keywords

DFT; Excited states; OLED; Reorganization energy

Indexed keywords

ANCILLARY LIGANDS; AUXILIARY LIGANDS; B3LYP METHOD; B3LYP/LANL2DZ; CONFIGURATION INTERACTIONS; DFT; DFT CALCULATION; EMISSION COLOR; EXCITED-STATE GEOMETRIES; FRONTIER MOLECULAR ORBITALS; HETEROLEPTIC; OLED; REORGANIZATION ENERGIES; REORGANIZATION ENERGY; THEORETICAL STUDY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRANSPORT QUALITY;

CHARGE TRANSFER; CHEMICAL BONDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; GEOMETRY; ION EXCHANGE; IRIDIUM; LIGANDS; LIGHT EMISSION; MOLECULAR ORBITALS; OPTICAL PROPERTIES; OPTIMIZATION; PHOSPHORESCENCE;

EXCITED STATES;

EID: 79952611807     PISSN: 00222313     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jlumin.2011.02.026     Document Type: Article

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