摘要
The reaction of Mn(OAc)2·4 H2 O, 5-ethyl-pyridine-2,3-dicarboxylic acid(H2 epda) and 4,4?-bipyridine(4,4?-bipy)/4,4?-bis(imidazolyl)biphenyl)(bibp) under hydrothermal conditions produced two new manganese(Ⅱ) MOFs [Mn(epda)(4,4?-bipy)1/2](1) and [Mn(epda)(bibp)1/2](2), which were characterized by elemental analysis, infrared spectroscopy, thermogravimetric analyses, and single-crystal X-ray diffraction. The structures of complexes 1 and 2 are similar. In 1, the adjacent Mn(Ⅱ) ions are connected by epda dianion to generate a 2 D(4,4) grid layer, and such 2 D layers are further connected via bibp ligand to form another layer, forming a 2 D pillared-layer. Topologically, the Mn atoms as the node are bridged by the edpa anions and bibp ligands to form a uninodal 5-connected network topology. The magnetic properties of 1 and 2 have also been-investigated, and the exchange interctions were –1.39 and –1.05 cm1, respectively. According to the crystal structures, compounds 1 and 2 were carried out by using hybrid DFT methods at the B3 LYP/6-31 G(d) level. The DFT-BS approach was applied to study the magnetic coupling behaviors for 1 and 2. The result reveals that the calculated exchange coupling constants J were in good agreement with the experimental data.
The reaction of Mn(OAc)2·4 H2 O, 5-ethyl-pyridine-2,3-dicarboxylic acid(H2 epda) and 4,4?-bipyridine(4,4?-bipy)/4,4?-bis(imidazolyl)biphenyl)(bibp) under hydrothermal conditions produced two new manganese(Ⅱ) MOFs [Mn(epda)(4,4?-bipy)1/2](1) and [Mn(epda)(bibp)1/2](2), which were characterized by elemental analysis, infrared spectroscopy, thermogravimetric analyses, and single-crystal X-ray diffraction. The structures of complexes 1 and 2 are similar. In 1, the adjacent Mn(Ⅱ) ions are connected by epda dianion to generate a 2 D(4,4) grid layer, and such 2 D layers are further connected via bibp ligand to form another layer, forming a 2 D pillared-layer. Topologically, the Mn atoms as the node are bridged by the edpa anions and bibp ligands to form a uninodal 5-connected network topology. The magnetic properties of 1 and 2 have also been-investigated, and the exchange interctions were –1.39 and –1.05 cm1, respectively. According to the crystal structures, compounds 1 and 2 were carried out by using hybrid DFT methods at the B3 LYP/6-31 G(d) level. The DFT-BS approach was applied to study the magnetic coupling behaviors for 1 and 2. The result reveals that the calculated exchange coupling constants J were in good agreement with the experimental data.
作者
唐龙
史德倩
王滢璐
殷思煜
王记江
侯向阳
TANG Long;SHI De-Qian;WANG Ying-Lu;YIN Si-Yu;WANG Ji-Jiang;HOU Xiang-Yang
基金
supported by the National Natural Science Foundation of China(Nos.21573189,21503183 and 21763028)
the National College Students’innovation and entrepreneurship training program(D2018)
