作者机构：
[贺全国; 梁静; 李广利; 刘军; 刘晓鹏] College of Life Science and Chemistry, Hu'nan University of Technology, Zhuzhou;412000, China;[邓培红] Department of Chemistry and Material Science, Hengyang Normal University, Hengyang;421008, China;[贺全国; 梁静; 李广利; 刘军; 刘晓鹏] 412000, China
通讯机构：
[He, Q.] C;College of Life Science and Chemistry, Hu'nan University of Technology, Zhuzhou, China
期刊：
Chinese Journal of Structural Chemistry,2018年37(2):270-276 ISSN：0254-5861
通讯作者：
Zhang Fu-Xing
作者机构：
[Jiang Wu-Jiu; Wu Qian; Kuang Dai-Zhi; Zhang Fu-Xing; Yu Jiang-Xi; Zhu Xiao-Ming] Hengyang Normal Univ, Key Lab Funct Met Organ Cpds Hunan Prov, Key Lab Funct Organometall Mat, Dept Chem & Mat Sci,Coll Hunan Prov, Hengyang 421008, Hunan, Peoples R China.
通讯机构：
[Zhang Fu-Xing] H;Hengyang Normal Univ, Key Lab Funct Met Organ Cpds Hunan Prov, Key Lab Funct Organometall Mat, Dept Chem & Mat Sci,Coll Hunan Prov, Hengyang 421008, Hunan, Peoples R China.
关键词：
triphenyltin complex with salicylidene-2-aminophenol;organotin;synthesis
摘要：
The triphenyltin complex with salicylidene-2-aminophenol (C_(31)H_(24)NO_2Sn, 1) has been synthesized and characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, and X-ray single-crystal diffraction. The complex crystallizes in monoclinic system, P2_1/c space group with a = 1.09515(8), b = 1.17739(8), c = 2.29075(14) nm, β = 117.070(4)°, V = 2.6302(3) nm~3, Z = 4, D_c = 1.417 g/cm~3, μ = 0.999 mm~(-1), F(000) = 1123, R = 0.0472 and wR = 0.1169. X-ray single-crystal diffraction showed that 1 demonstrates a one-dimensional chain structure. The quantum chemical calculation of 1 has been investigated. Complex 1 emits fluorescence at 558 nm and exhibits certain inhibitory activity against NCI-H460, A549 and MCF-7.
摘要：
A novel anionic organotin(IV) complex I {[p-ClC6H4CH2)Sn(H2O)(Cl)(2)OCOCH(O)CH(O)CO2Sn(H2O)(Cl)(2)(p-ClC6H4CH2)]center dot 2(HNEt3)} (1) was synthesized by the reaction of di(p-chlorobenzy)tin dichloride with the D-tartaric acid in 2:1 molar in the presence of an organic base triethylamine. The structure was characterized by elemental analysis, IR, TG, XRD and single-crystal X-ray diffraction. It crystallizes in triclinic, P-(1) over bar space group, with a = 0.7067(1), b = 1.9762(3), c = 2.2383(3) nm, alpha = 91.544(2)degrees, beta = 90.075(2)degrees, gamma = 90.110(2)degrees, V = 3.1247(7) nm(3), Z = 3, D-c = 1.621 g/cm(3), mu(MoK alpha) = 16.29 cm(-1), F(000) = 1530, R = 0.0394, wR = 0.1092, (Delta rho)(max) = 1224 and (Delta rho)(min) = -840 e/nm(3). The stabilities, orbital energies and composition characteristics of some frontier molecular orbitals of 1 have been carefully investigated with quantum chemistry calculation. In addition, the in vitro antitumor activity suggested that 1 had stronger inhibitory activity on H460, MCF7 than on A549.
作者：
Li Yu-Lin;Li Wei*;Li Chang-Hong*;Tan Xiong-Wen
期刊：
Chinese Journal of Structural Chemistry,2018年37(10):1651-1655 ISSN：0254-5861
通讯作者：
Li Wei;Li Chang-Hong
作者机构：
[Tan Xiong-Wen; Li Yu-Lin; Li Wei] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.;[Li Chang-Hong] Hunan Inst Technol, Dept Chem Engn, Hengyang 421002, Peoples R China.;[Li Wei] Key Lab Funct Met Organ Cpds Hunan Prov, Hengyang 421008, Peoples R China.
通讯机构：
[Li Wei; Li Chang-Hong] H;[Li Wei] K;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.;Hunan Inst Technol, Dept Chem Engn, Hengyang 421002, Peoples R China.;Key Lab Funct Met Organ Cpds Hunan Prov, Hengyang 421008, Peoples R China.
关键词：
heteronuclear;cobalt-sodium polymer;electrochemical and fluorescent properties
摘要：
A new cobalt-sodium coordination polymer vertical bar CoNa(C9H9N3O2S)2 center dot H2O vertical bar(2)center dot C2H3N center dot H2O (1) has been synthesized with cobalt chloride, 2-(2-hydroxy-3-methoxybenzylidene)hydrazinecarbothio amide (L) and sodium hydroxide. It crystallizes in the triclinic space group P (1) over bar, with a = 9.972(4), b = 10.923(4), c = 13.489(5) angstrom, alpha = 108.005(10), beta = 92.728(10), gamma = 93.16(1)degrees, V = 1392.0(9) angstrom(3), M-r = 1151.95, D-c = 1.374 g/cm(3), Z = 2, F(000) = 592, the final GOOF = 1.126, R = 0.1091 and wR = 0.2412. Each unit molecule consists of two cobalt ions and two sodium ions bridged by four 2-(2-hydroxy-3-methoxybenzylidene)hydrazinecarbothio amide anions. The coordination environment of Co ion is CoO2N2S2, giving a distorted octahedral geometry and the Na(1) ion is NaO4N, giving a distorted square pyramidal geometry. The results show that 1 shows one strong intense fluorescence emission wavelength of 429 nm with an excitation wavelength of 376 nm, and the electron transfer of 1 is irreversible in electrode reactions.
摘要：
Reaction of CdCl_2 or ZnCl_2·4H_2O, 5-hydroxyisophthalic acid (5-OHH_2IP) as well as l,5-bis(2-ethyl-imidazolyl)pentane(BEIP) results in formation of a ID [Cd(BEIP)(Cl)_2]_n (1) and 2D [Zn(BEIP)(5-OHIP)]_n (2). X-ray diffraction crystal structure analysis shows that 1 crystallizes in orthorhombic system, space group Pca21, while 2 is of monoclinic, space group P2_1/n with β =100.542 (4)°. In 1, the 1,5-bis (2-ethyl-imidazolyl)pentane links all the Cd atoms into a ID chain. In 2, the carboxylate group withμ2-η1:η1 coordination mode links metal atoms to give a ID zigzag chain structure, which forming the 2D layer through Zn-N interactions by BEIP ligands. Finally the 2D layers are further assembled into 3D framework by the H-bond interaction. In addition, the properties of complexes 1 and 2 have been investigated, which exhibit good fluorescence in the solid state at room temperature. And complex 2 shows good photocatalytic activity for the degradation of methyl orange solution.
摘要：
Diruthenium ethynyl complexes 1-3 (1: 1,5-dithia-s-indacene-4,8-dione; 2: 4,8-diethoxybenzo[ 1,2-b:4,5-b']dithiophene; 3: 4,8-didodecyloxybenzo[ 1,2-b:4,5-b']dithiophene) have been synthesized by incorporating the respective conjugated heterocyclic spacer and characterized by NMR and elemental analysis.The effects of bridge ligands' properties on electronic coupling between redox-active ruthenium terminal groups were investigated by electrochemistry,UV/vis/near-IR and IR spectroelectrochemistry combined with density functional theory (DFT) and time-dependent DFT calculations.Electrochemistry results indicated that complexes 1-3 exhibit two fully reversible oxidation waves,and complexes 2 and 3 with electron-rich and π-conjuagted bridge ligands are characterized by excellent electrochemical properties.Furthermore,the larger v(C≡C) separation from the IR spectroelec-trochemical results of 2 and 3 and the intense NIR absorption features of singly oxidized species ~(2+) and ~(3+) revealed that their molecular skeletons have superior abilities to delocalize the positive charge.The spin density distribution from DFT calculations proved the conclusions of this study.
作者：
Tan Xiong-Wen;Li Chang-Hong;Li Heng-Feng*;Yang Ying-Qun*
期刊：
Chinese Journal of Structural Chemistry,2017年36(1):170-174 ISSN：0254-5861
通讯作者：
Li Heng-Feng;Yang Ying-Qun
作者机构：
[Li Chang-Hong; Li Heng-Feng; Tan Xiong-Wen] Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China.;[Tan Xiong-Wen; Yang Ying-Qun] Hengyang Normal Univ, Dept Chem & Mat Sci, Key Lab Funct Organometall Mat, Hunan Prov Coll, Hengyang 421008, Peoples R China.;[Li Chang-Hong] Hunan Inst Technol, Dept Chem Engn, Hengyang 421002, Peoples R China.
通讯机构：
[Li Heng-Feng] C;[Yang Ying-Qun] H;Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China.;Hengyang Normal Univ, Dept Chem & Mat Sci, Key Lab Funct Organometall Mat, Hunan Prov Coll, Hengyang 421008, Peoples R China.
关键词：
europium(Ⅲ) complex;2-benzoylbenzoic acid;crystal structure;fluorescent and magnetic properties
摘要：
A new europium(III) complex Eu(L)_3(Phen)_2 (1) with 2-benzoylbenzoic acid (HL) and 1,10-phenanthroline (Phen) as ligands has been synthesized. Crystal data for the complex are as follows: monoclinic, space group P2_1/c, a = 2.2577(4), b = 1.23484(19), c = 1.8789(3) nm, β = 94.918(3)o, V = 5.2189(14) nm~3, D_c = 1.512 g/cm~3, Z = 4, μ(MoKα) = 1.269 mm~(-1), F(000) = 2408, the final R = 0.0433 and wR = 0.1038. The Eu(III) ion is coordinated by nine atoms to give a single-capped square antiprism coordination geometry. 1 shows two intense fluorescence emission bands arising from the transitions of Eu~(3+): ~5D_0→~7F_1(597 nm) and ~5D_0→~7F_2(615 nm) with an excitation wavelength of 396 nm. In addition, 1 displays antiferromagnetic property at low temperature.
摘要：
2-Oxo-butyric acid salicylacylhydrazone dibenzyltin (IV) complexes 1 {[o-OHC_6H_4(O)C=N-N=C(Et)COO](CH_3OH)[(C_6H_5CH_2)_2Sn]}_2 and 2 {[o-OH-C_6H_4(O)C=N-N=C(Et)-COO](CH_3OH)[(2,4-Cl_2C_6H_3CH_2)_2Sn]}_2 have been synthesized. The complexes were characterized by IR, 1H, 13C and 119Sn NMR spectra, elemental analysis and thermal stability analysis, and the crystal structures were determined by X-ray diffraction. The crystal of complex 1 belongs to triclinic system, space group P1 with a = 8.9121(6), b = 10.3875(7), c = 14.5658(10) A, α = 89.534(5), β = 86.790(5), γ = 70.103(6)°, Z = 1, V = 1265.85(15) A~3, D_c = 1.488 Mg·m~(-3), μ(MoKα) = 1.047 mm~(-1), F(000) = 576, R = 0.0466 and wR = 0.1054. The crystal of complex 2 belongs to monoclinic system, space group P_21/n, a = 12.7165(10), b = 17.8466(14), c = 12.8538(10) A, β = 95.1310(10)°, Z = 2, V = 2905.4(4) A~3, D_c = 1.612 Mg·m~(-3), μ(MoKα) = 1.286 mm~(-1), F(000) = 1408, R = 0.0369 and wR = 0.0958. In vitro antitumor activities of both complexes were evaluated by the 3-(4,5-dimethylthiazoly-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay against three human cancer cell lines (NCI-H460, HepG2, MCF7) and one human cell line (HL7702). Two complexes exhibited strong antitumor activity, and then they were expected after further chemical optimization of candidate compounds as anti-cancer drugs. The interaction between complexes and calf thymus DNA were studied by EB fluorescent probe. The interactions of the two complexes with calf thymus DNA were intercalation.
作者：
Tan Xiong-Wen;Li Chang-Hong;Chen Zhi-Hui;Li Heng-Feng*;Li Wei*
期刊：
Chinese Journal of Structural Chemistry,2017年36(2):324-328 ISSN：0254-5861
通讯作者：
Li Heng-Feng;Li Wei
作者机构：
[Li Chang-Hong; Li Heng-Feng; Tan Xiong-Wen; Chen Zhi-Hui] Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China.;[Tan Xiong-Wen; Li Wei] Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.;[Li Chang-Hong] Hunan Inst Technol, Dept Chem Engn, Hengyang 421002, Peoples R China.
通讯机构：
[Li Heng-Feng] C;[Li Wei] H;Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China.;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
关键词：
copper(Ⅱ) coordination polymer;thermal stability;electrochemical and magnetic properties
摘要：
A new copper(Ⅱ) coordination polymer [Cu_2(C_7H_5N_4)_2(3-C_6H_5NO_2)_2]_n (1) has been hydrothermally synthesized with copper hydroxide, 3-(pyridin-2-yl)-1,2,4-triazole (Hpt) and 3-pyridinecarboxylic acid (3-PCA). It crystallizes in the monoclinic space group C2/c, with a = 16.854(2), b = 7.8616(8), c = 20.630(2) A,β = 111.126(2)°,V=2549.7(5) A~3,D_c= 1.723 g/cm~3,Z = 8,F(000) = 1336,the final GOOF = 1.065, R = 0.0380 and wR = 0.0972. The whole molecule consisting of two copper ions are bridged by two μ_2-η~1:η~0-3-(pyridin-2-yl)-1,2,4-triazole anions. The coordination environment of Cu(l) ion is CuO_2N_4, giving a distorted octahedron geometry. 1 exhibits antiferromagnetic interaction, and the electron transfer of 1 is irreversible in electrode reactions and the TG analysis shows that 1 is stable below 235℃.
