Silver(I) complexes with a bulky acridine-based carboxylic ligand: Syntheses, crystal structures, and luminescent properties

被引:13
|
作者
Yu, Qun [1 ]
Wei, Zi-Zhang [1 ]
Li, Jian-Rong [1 ]
Hu, Tong-Liang [1 ]
机构
[1] Nankai Univ, Dept Chem, Tianjin 300071, Peoples R China
基金
中国国家自然科学基金;
关键词
Acridine-9-carboxylic acid; Ag(I) complexes; Crystal structures; Hydrogen bonding; Photoluminescence properties; EFFECTIVE CORE POTENTIALS; C-H; COORDINATION POLYMERS; HYDROGEN-BONDS; MOLECULAR CALCULATIONS; AGOSTIC INTERACTIONS; RESPONSE THEORY; PHOTOLUMINESCENCE; TETRANUCLEAR; COPPER(II);
D O I
10.1016/j.molstruc.2009.05.029
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Two new Silver(I) complexes, {[AgL]center dot(H2O)(2)}(n) (1, HL = acridine-9-carboxylic acid) and {[Ag(L)(4,4'-bipy)]center dot(H2O)(5)}(n) (2), has been synthesized and characterized by elemental analysis, IR, and single-crystal X-ray diffraction analysis. Ag(I) ion in complex 1 is coordinated by L as a bridging ligand with its acridine N donor and bidentate chelating carboxylate group forming a 1D chain. Different from 1, complex 2 adopts a 1D chain structure with 4,4'-bipy as a bridging ligand. In 2, L coordinates to Ag(I) ion as a terminal ligand by its carboxylate group in a bidentate chelating mode similar to that in 1, leaving N donor as a H-bond acceptor. It is worth noting that in 1 C-H center dot center dot center dot Ag weak interactions are observed, and these weak interactions are also elucidated by theoretical investigation of TD-DFT (B3LYP) methods and NBO analysis. Furthermore, the photoluminescence properties of 1 and 2 are also investigated in the solid state at room temperature, and the theoretical calculations of the absorption and emission spectra of I were carried out with B3LYP method on the basis of the experimental structure. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码:68 / 75
页数:8
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