摘要
Two Pb^Ⅱ coordination polymers [Pb（oba）（2,2′-bipy）]·1.5H2O（1） and [Pb（oba）（phen）]（2）（H2oba = 2,4-oxybis（benzoic acid）, 2,2′-bipy = 2,2′-bipyridine, phen = 1,10-phenanthroline） were synthesized by hydrothermal reactions and characterized by single-crystal X-ray diffraction, thermogravimetric analyses, IR spectroscopy and elemental analysis. Structures of compounds 1 and 2 are similar. Compounds 1 and 2 show 1D wavy chains, which are further connected through aromatic π-π stacking interactions to expand into 2D wavelike networks. The crystal structure of 2,4-oxybis（benzoic acid） ligand（3） was obtained, and its full geometry optimization was carried out by using DFT methods at the B3LYP/6-31G（d） level. The calculated data show that the bond distances and bond angles were very close to the experimental data. The values of the frontier orbital energies indicate that this configuration is stable. Moreover, the solid-state fluorescence properties of 1-3 have also been investigated.
Two Pb^Ⅱ coordination polymers [Pb（oba）（2,2′-bipy）]·1.5H2O（1） and [Pb（oba）（phen）]（2）（H2oba = 2,4-oxybis（benzoic acid）, 2,2′-bipy = 2,2′-bipyridine, phen = 1,10-phenanthroline） were synthesized by hydrothermal reactions and characterized by single-crystal X-ray diffraction, thermogravimetric analyses, IR spectroscopy and elemental analysis. Structures of compounds 1 and 2 are similar. Compounds 1 and 2 show 1D wavy chains, which are further connected through aromatic π-π stacking interactions to expand into 2D wavelike networks. The crystal structure of 2,4-oxybis（benzoic acid） ligand（3） was obtained, and its full geometry optimization was carried out by using DFT methods at the B3LYP/6-31G（d） level. The calculated data show that the bond distances and bond angles were very close to the experimental data. The values of the frontier orbital energies indicate that this configuration is stable. Moreover, the solid-state fluorescence properties of 1-3 have also been investigated.
基金
supported by the Natural Scientific Research and Overall innovation plan major project of Shaanxi Provincial Education Office of China(No.2012KTCL03-16)
the National Natural Science Foundation of China(No.21373178)
the Natural Scientific Research Foundation of Shaanxi Provincial Education Office(No.2013Jk0668)
the National College Students'innovation and entrepreneurship training program(201310719002)
the special fund of Yan’an University(No.YDZ2013-10)
