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Structures, Photoluminescence and Theoretical Studies of Two Zn II Complexes with Substituted 2‐(2‐Hydroxyphenyl)benzimidazoles
Author(s) -
Tong YiPing,
Zheng ShaoLiang,
Chen XiaoMing
Publication year - 2005
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.200500174
Subject(s) - photoluminescence , chemistry , time dependent density functional theory , luminescence , benzimidazole , density functional theory , molecular orbital , ligand (biochemistry) , molecule , crystallography , electroluminescence , photochemistry , computational chemistry , organic chemistry , optoelectronics , biochemistry , physics , receptor , layer (electronics)
Two new Zn II complexes of 2‐(2‐hydroxyphenyl)benzimidazole (Hpbm), and 5‐amino‐2‐(1 H ‐benzoimidazol‐2‐yl)phenol (Hapbm), namely [Zn(pbm) 2 ] ( 1 ), and [Zn(apbm) 2 ] · C 2 H 5 OH · H 2 O ( 2 ), as well as the ligands themselves, have been prepared and characterized by X‐ray crystallography and photoluminescence studies. Both 1 and 2 are neutral, mononuclear molecules that display strong photoluminescence in the blue regionand thus may serve as candidates for blue‐light‐emitting electroluminescent materials. The electronic transitions in the photoluminescent processes have also been investigated by means of time‐dependent density functional theory (TDDFT) energy level and molecular orbitals analyses, which show that their absorption and luminescent properties are ligand‐based. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)