三维超分子化合物(C12N2H8)的合成、晶体结构与荧光性质

合成了一个三维超分子化合物(C₂₀O₂H₁₄)(C₁₂N₂H₈)(命名为BP1),通过元素分析、红外光谱、核磁共振氢谱和X射线单晶衍射对其结构进行了表征,结果表明分子之间通过氢键和π-π堆积弱的相互作用形成超分子化合物。对所有合成的超分子化合物进行了紫外光谱和荧光光谱的测试。在室温DMSO溶液中,当激发波长为342nm时,化合物在373nm处有一强发射峰,呈现紫色荧光,这可以归属于分子内的π^*→π跃迁。X射线单晶衍射分析结果表明,该超分子化合物属于三斜晶系,P1空间群,晶胞参数a=1.0878(2)nm,b=1.1252(2)nm,c=1.1680(2)nm,α=97.89(3)°,β=110.91(3)°,γ=109.62(3)°,V=1.2032(4)nm³,Z=2,R₁=0.0531,wR₂=0.1634,GOF值为1.034。

Synthesis, Crystal Structure and Luminescent Properties of 3-D Supramolecular Compound (C12N2H8)

Supramolecular system has received great attention in the fields of catalytic, magnetic, liquid crystal materials, and bio-organic chemistry in recent years. They are composed of monomeric units through non-covalent intermolecular interactions including intermolecular hydrogen bond and π-π stacking interaction. The result is that the energy of the molecular system is greatly reduced and the molecular structure becomes more stable, which leads to the emergence of new properties of the optics, electricity, magnetic, and biological activity. Till now, many supramolecular polymers with one-dimensional chain, two-dimensional layer or three-dimensional open framework structures have been reported. In this work, a 3-D supramolecular compound (C20O2H14)(C12N2H8) (BP1) was synthesized and characterized by elemental analysis, IR, 1H NMR and single-crystal X-ray diffraction. In the crystal structure, multiform hydrogen bonds and π-π stacking interactions lead to a 3-D supramolecular compound. At room temperature in DMSO solution,the compound has purple fluorescent emission at 373 nm, when excited at excitation wavelength of 342 nm. Fluorescent emission of the compounds originates from π*→π transitions in molecular. The crystal belongs to triclinic, space group P1 with a=1.087 8(2) nm, b=1.125 2(2) nm, c=1.168 0(2) nm,α=97.89(3)°, β=110.91(3)°, γ=109.62(3)°,V=1.203 2(4) nm3. Z=2, R1=0.053 1, wR2=0.163 4, GOF is 1.034.