Synthesis,Structures, Fluorescence Properties,and Natural Bond Orbital (NBO) Analysis of Two Metal [EuIII,CoII] Coordination Polymers Containing 1, 3‐Benzenedicarboxylate and 2‐(4‐methoxyphenyl)‐1H‐imidazo[4, 5‐f][1, 10]phenanthroline Ligands |
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Authors: | Lei Wang Zhao Jun Prof Dr Liang Ni Jia Yao |
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Institution: | 1. School of Chemistry and Chemical Engineering, Jiangsu University, Zhenijang 212013, P. R. China;2. Department of Chemistry, Zhejiang University, Hangzhou, P. R. China |
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Abstract: | Two new metal‐organic coordination polymersEu(m‐BDC)1.5(MOPIP) · 1/2H2O]n ( 1 ) and Co(m‐BDC)(MOPIP)2 · 2H2O]n ( 2 ) m‐H2BDC = benzene‐1, 3‐dicarboxylic acid, MOPIP = 2‐(4‐methoxyphenyl)‐1H‐imidazo4, 5‐f] 1 , 10 phenanthroline] were hydrothermally synthesized and structurally characterized by elemental analysis, IR spectroscopy, and single‐crystal X‐ray diffraction. The coordination polymers crystallize in monoclinic space group P21/m for 1 ( 2 : P21/n), with a = 9.779(2), b = 18.242(4), c = 17.146(3) Å, β = 106.41(3)° for 1 , and with a = 8.2153(16), b = 27.974(6), c = 17.974(4) Å, β = 100.40(3)° for 2 . The crystal structure of complex 1 is a zipper‐like chain of octacoordinate Eu3+ ions, in which Eu3+ ions are bridged in two coordination modes by m‐BDC2+ ligands and decorated by MOPIP ligands. The molecular structure of complex 2 consists of a hexacoordinte Co2+ atom, which generates a slightly distorted octahedral arrangement, and assembles into three‐dimensional supramolecular nets by π ··· π stacking interactions. Additionally, these two compounds show strong fluorescence in the solid state at room temperature. Natural bond orbital (NBO) analysis is performed by using the NBO method built in Gaussian 03 Program. The calculation results show a weak covalent interaction between the coordinated atoms and metal ions. |
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Keywords: | Benzene‐1 3‐dicarboxylic acid 2‐(4‐Methoxyphenyl)‐1H‐imidazo[4 5‐f] „ 1 10” ︁ phenanthroline Hydrothermal synthesis Fluorescence NBO analysis |
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