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Ligation of Bipyridyl Ligands to Metal 8‐Hydroxyquinolinates – Synthesis, Crystal Structures, and TDDFT Study
Author(s) -
Yue Fan,
Zhu AiXin,
Zheng ShaoLiang,
Chen XiaoMing
Publication year - 2008
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200800507
Subject(s) - chemistry , time dependent density functional theory , density functional theory , crystallography , phenazine , ligand (biochemistry) , cyclic voltammetry , phenanthroline , titration , transition metal , bipyridine , metal , stereochemistry , crystal structure , computational chemistry , electrochemistry , organic chemistry , biochemistry , receptor , electrode , catalysis
Binding of four bipyridyl ligands, 2,2′‐bipyridine (L1), 1,10‐phenanthroline (L2), 1,4,8,9‐tetraazatriphenylene (L3), and dipyrido[3,2‐ a :2′,3′‐ c ]phenazine (L4) with Cdq 2 /Znq 2 complexes (q = 8‐hydroxyquinoline) gave four neutral, mononuclear Cd II /Zn II complexes, namely [Cdq 2 L1] · H 2 O · CH 3 OH ( 1 ), [Cdq 2 L3] · 3H 2 O ( 2 ), [Cdq 2 L4] · 2H 2 O ( 3 ), and [Znq 2 L4] · 2CH 3 OH ( 4 ). These mixed‐ligand compounds were taken as models for investigating the interfacial effect at the electron‐transfer layer/light‐emitting layer junction in OLEDs by combination of X‐ray diffraction, fluorophotometric titration, cyclic voltammetry, and time‐dependent density functional theory (TDDFT) calculations. The results shows the formation of these compounds is favorable to energy transition on the contact surface. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)