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Inorg Chem ; 49(11): 5094-100, 2010 Jun 07.
Article in English | MEDLINE | ID: mdl-20423054

ABSTRACT

Three members of a new class of electroluminescent, neutral, and monomeric scandium N,O-chelate complexes, namely, Sc(III)-tris-2-(2-benzoimidazol-2-yl)phenolate (1), Sc(III)-tris-2-(2-benzoxyazol-2-yl)phenolate (2), and Sc(III)-tris-2-(2-benzothiazol-2-yl)phenolate (3), have been prepared and X-ray characterized. DFT calculations have been performed. In contrast to the most frequently applied dual or multiple dopants in multilayer white OLED devices, all our simpler devices with the configuration of indium tin oxide/N,N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine/neat scandium complex/Yb exhibit close to near-white emission with a blue hue (CIE(x,y) = 0.2147, 0.2379) in the case of 1, a cyan hue (0.2702, 0.3524) in the case of 2, and a yellowish hue (0.3468; 0.4284) in the case of 3.


Subject(s)
Chelating Agents/chemistry , Chelating Agents/chemical synthesis , Luminescence , Organometallic Compounds/chemistry , Organometallic Compounds/chemical synthesis , Scandium/chemistry , Computer Simulation , Crystallography, X-Ray , Electrochemistry , Light , Models, Molecular , Molecular Structure
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