A Schiff base DSH （DSH = （4-dipropylanilino-styryl） hydrazine） has been synthe- sized and fully characterized by 1H NMR, 13C NMR, ESI-MS, elemental analysis and single-crystal X-ray diffraction analysis. It crysta...A Schiff base DSH （DSH = （4-dipropylanilino-styryl） hydrazine） has been synthe- sized and fully characterized by 1H NMR, 13C NMR, ESI-MS, elemental analysis and single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group Pi, with a = 8.447（5）, b = 10.543（5）, c = 14.540（5） A, a = 78.600（5）, β = 78.222（5）, y = 78.247（5）, V= 1225（1） A3, Z = 2, D,. -- 1.103 g/m3, F（000） = 444, Mr = 406.60, μ= 0.066 mm, the final R = 0.0414 and wR = 0.1065 for 8691 observed reflections with I 〉 2（/）. The structural analysis revealed that the molecule possesses good planar structure. The absorption spectra and one-photon fluorescence in different solvents were experimentally studied. The result indicates that the compound exhibits intense fluorescent emission bands in protic solvents, such as ethanol and methanol. Quantum chemical calculations based on time-dependent density functional theory （TD-DFT） at the level of TD-DFT/B3LYP/6-31G were performed to investigate the UV absorption spectrum, and influence of solvents on the fluorescence spectra is analyzed based on the optimized structure at the level of B3LYP/6-31G（d）.展开更多
A pyridine-contained Schiff base ligand L（L =（pyridine-2-vinyl）hydrazine） has been synthesized and fully characterized. By self-assembly of the ligand with HgI2, a binuclear complex Hg2I4L（C） was obtained. The s...A pyridine-contained Schiff base ligand L（L =（pyridine-2-vinyl）hydrazine） has been synthesized and fully characterized. By self-assembly of the ligand with HgI2, a binuclear complex Hg2I4L（C） was obtained. The structures of L and C were analyzed through single-crystal X-ray diffraction. L crystallizes in monoclinic, space group P21/n with a=11.286（5）, b=3.981（5）, c=23.865（5） , β=100.043（5）°, V=1056（1） 3, Z=4, Dc=1.323 g/m3, F（000）=440, Μr=210.24, μ=0.084 mm（-1）, the final R=0.0928 and w R=0.2867 for 6955 observed reflections with I ＆gt; 2（I）. The complex is of monoclinic system, space group P21/n with a=8.706（5）, b=17.468（5）, c=14.675（5） , β=93.922（5）°, V=2227（2） 3, Z=4, Dc=3.338 g/m3, F（000）=1928, Μr=1119.02, μ=19.321 mm（-1）, the final R=0.0366 and w R=0.1276 for 3920 observed reflections with I ＆gt; 2（I）. The structural analysis revealed that the molecule of L possesses a well planar structure. However, in the complex, the coordinated ligand distorts greatly. The absorption spectra of L and the complex in ethanol were experimentally and theoretically studied. The result indicates that the complex exhibits different absorption spectrum compared with the free ligand.展开更多
基金Supported by the National Natural Science Foundation of China(21401024,21402029)Natural Science Foundation of Anhui Province(1508085MB21)+5 种基金Science and Technology Plan Project of Anhui Province(1301042112)National Students Research Training Program(201510371013)Students Research Training Program of Education Committee of Anhui Province(201510371040)Natural Science Foundation of Education Committee of Anhui Province(2014KJ015,KJ2016A550)Doctoral Startup Foundation of Fuyang Normal College(FSB201501010)Major Incubator Fund in Science and Technology of Fuyang Normal College(KJFH201606)
文摘A Schiff base DSH （DSH = （4-dipropylanilino-styryl） hydrazine） has been synthe- sized and fully characterized by 1H NMR, 13C NMR, ESI-MS, elemental analysis and single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group Pi, with a = 8.447（5）, b = 10.543（5）, c = 14.540（5） A, a = 78.600（5）, β = 78.222（5）, y = 78.247（5）, V= 1225（1） A3, Z = 2, D,. -- 1.103 g/m3, F（000） = 444, Mr = 406.60, μ= 0.066 mm, the final R = 0.0414 and wR = 0.1065 for 8691 observed reflections with I 〉 2（/）. The structural analysis revealed that the molecule possesses good planar structure. The absorption spectra and one-photon fluorescence in different solvents were experimentally studied. The result indicates that the compound exhibits intense fluorescent emission bands in protic solvents, such as ethanol and methanol. Quantum chemical calculations based on time-dependent density functional theory （TD-DFT） at the level of TD-DFT/B3LYP/6-31G were performed to investigate the UV absorption spectrum, and influence of solvents on the fluorescence spectra is analyzed based on the optimized structure at the level of B3LYP/6-31G（d）.
基金Supported by the National Natural Science Foundation of China(21401024)Natural Science Foundation of Anhui Province(1508085MB21)+3 种基金Key Project of Natural Science Research in Universities of Anhui Province(KJ2016A550)Major Scientific and Technological Achievements Incubation Fund Project of Fuyang Normal College(kjfh201606)National Students Research Training Program(201510371013,201610371015)Doctoral Startup Foundation of Fuyang Normal College(FSB201501010)
文摘A pyridine-contained Schiff base ligand L（L =（pyridine-2-vinyl）hydrazine） has been synthesized and fully characterized. By self-assembly of the ligand with HgI2, a binuclear complex Hg2I4L（C） was obtained. The structures of L and C were analyzed through single-crystal X-ray diffraction. L crystallizes in monoclinic, space group P21/n with a=11.286（5）, b=3.981（5）, c=23.865（5） , β=100.043（5）°, V=1056（1） 3, Z=4, Dc=1.323 g/m3, F（000）=440, Μr=210.24, μ=0.084 mm（-1）, the final R=0.0928 and w R=0.2867 for 6955 observed reflections with I ＆gt; 2（I）. The complex is of monoclinic system, space group P21/n with a=8.706（5）, b=17.468（5）, c=14.675（5） , β=93.922（5）°, V=2227（2） 3, Z=4, Dc=3.338 g/m3, F（000）=1928, Μr=1119.02, μ=19.321 mm（-1）, the final R=0.0366 and w R=0.1276 for 3920 observed reflections with I ＆gt; 2（I）. The structural analysis revealed that the molecule of L possesses a well planar structure. However, in the complex, the coordinated ligand distorts greatly. The absorption spectra of L and the complex in ethanol were experimentally and theoretically studied. The result indicates that the complex exhibits different absorption spectrum compared with the free ligand.
