Due to the combinatorial nature of graphs they are used easily in pure sciences and social sciences.The dynamical arrangement of vertices and their associated edges make them flexible(like liquid)to attain the shape o...Due to the combinatorial nature of graphs they are used easily in pure sciences and social sciences.The dynamical arrangement of vertices and their associated edges make them flexible(like liquid)to attain the shape of any physical structure or phenomenon easily.In the field of ICT they are used to reflect distributed component and communication among them.Mathematical chemistry is another interesting domain of applied mathematics that endeavors to display the structure of compounds that are formed in result of chemical reactions.This area attracts the researchers due to its applications in theoretical and organic chemistry.It also inspires the mathematicians due to involvement of mathematical structures.Regular or irregular bonding ability of molecules and their formation of chemical compounds can be analyzed using atomic valences(vertex degrees).Pictorial representation of these compounds helps in identifying their properties by computing different graph invariants that is really considered as an application of graph theory.This paper reflects the work on topological indices such as ev-degree Zagreb index,the first ve-degree Zagrebindex,the first ve-degree Zagrebindex,the second ve-degree Zagreb index,ve-degree Randic index,the ev-degree Randic index,the ve-degree atom-bond connectivity index,the ve-degree geometric-arithmetic index,the ve-degree harmonic index and the ve-degree sum-connectivity index for crystal structural networks namely,bismuth tri-iodide and lead chloride.In this article we have determine the exact values of ve-degree and ev-degree based topological descriptors for crystal networks.展开更多
A zinc complex, [Zn(iso)_2(H_2O)_4](iso=C_6H_4NO_2^-), was synthesized and characterized by elemental analysis, thermal analysis and IR spectrum studies. The crystal structure of the complex was determined by X-ray di...A zinc complex, [Zn(iso)_2(H_2O)_4](iso=C_6H_4NO_2^-), was synthesized and characterized by elemental analysis, thermal analysis and IR spectrum studies. The crystal structure of the complex was determined by X-ray diffraction. The crystal crystallizes in the triclinic system, molecular formula ZnC12H16N2O8, Mr=381.64, space group P with a = 6.338(1), b =6.919(1), c=9.277(1), α=96.28(1), β=104.91(1), γ=112.85(1)°, V=352.12(9)?3, Z=1, Dc=1.80g?cm-3 and F(000)=196, μ =1.791mm-1. The crystal structure was solved by direct methods for final R=0.0204 and Rw=0.0542 for 1258 observed reflections with [Fo>4σ(Fo)]. The crystal structure reveals that zinc ion is trans-octahedral with two pyridyl nitrogens and two aque oxygens at the equational positions and two aqua oxygens at the axial positions. The complex forms a three-dimensional network through intermolecular hydrogen bonds.展开更多
A novel three dimensional network complex polymer [Cu_4(oxen)_2(N_3)_3]_n(ClO_4)_n·2nH_2O, where oxen is N,N' -bis(2-aminoethyl)oxamide dianion, has been synthesized. It crystallizes in triclinic system, spac...A novel three dimensional network complex polymer [Cu_4(oxen)_2(N_3)_3]_n(ClO_4)_n·2nH_2O, where oxen is N,N' -bis(2-aminoethyl)oxamide dianion, has been synthesized. It crystallizes in triclinic system, space group P, with a=11.486(2), b=11.706(3), c=12.291(3) , α=77.42(2), β=67.59(2), γ=77.96(2)°, and z=2. The least-square refinements converged at R=0.047, with 3416 observed unique reflections. The complex has a pronounced three-dimensional character and can be viewed as the tetranuclear asymmetric repeating units through inversion and translation operations to extend a three-dimensional network. The structure of Cu_4 asymmetric unit consists of two square planar and two square pyramidal Cu central atoms linked by both azide ligands in end-on and end-to-end bonding modes, and oxamidate bridge in trans conformation.展开更多
The advanced design of a 10 × 1 linear antenna array system with the capa-bility of frequency tunability using GT3-23001 liquid crystal (LC) is pro-posed. The design for this reconfigurable wideband antenna array...The advanced design of a 10 × 1 linear antenna array system with the capa-bility of frequency tunability using GT3-23001 liquid crystal (LC) is pro-posed. The design for this reconfigurable wideband antenna array for 5G ap-plications at Ka-band millimeter-wave (mmw) consists of a double layer of stacked patch antenna with aperture coupled feeding. The bias voltage over LC varies from 0 V to 10.6 V to achieve a frequency tunability of 1.18 GHz. The array operates from 25.3 GHz to 33.8 GHz with a peak gain of 19.2 dB and a beamwidth of 5.2<span style="white-space:nowrap;">°</span> at 30 GHz. The proposed reconfigurable antenna ar-ray represents a real and efficient solution for the recent and future mmw 5G networks. The proposed antenna is suitable for 5G base stations in stadiums, malls and convention centers. It is proper for satellite communications and radars at mmw.展开更多
Acetanilide (AC), adipic acid (AA) and potassium hydrogen phthalate (PHP) were chosen as additives to accelerate PVC crystallization and improve its mechanical properties. The influences of the additives and ann...Acetanilide (AC), adipic acid (AA) and potassium hydrogen phthalate (PHP) were chosen as additives to accelerate PVC crystallization and improve its mechanical properties. The influences of the additives and annealing on the crystallization behavior, micromorphology and the tensile properties were investigated by the thermal analysis, scanning electron microscopy (SEM) and the tensile test. Based on the analysis results, it was concluded that the melting peaks ranging from 110 to 200 ℃ and 200 to 240 ℃ were caused by the fusion of the fringed micelle crystals and chain-folded crystals respectively. AC advanced the fringed micelle crystal to develop, while AA and PHP promoted obviously the chain-folded crystal to grow. The addition of the foreign additives did not change the growth pattern ofPVC crystallites, the growth of the micelle crystal was favorable at 110 ℃, and the chain-folded crystal was developed at higher temperature. For PVC/ AA and PVC/PHP, when annealed at 110 ℃, a regular nest like network was formed, the crystallinity and the crystallite size were increased as well, and as a result, the tensile strength, Young's modulus and the elongation at break point were improved simultaneously and greatly.展开更多
Two crystals of receptor 1, C(42)H(52)N(10)O4S2(anthracene-9,10-dicarbaldehyde bis-(phenyl-semithiocarbazone)) and-1-H2PO4, C(68)H(114)N(10)O(10)P2S2 were obtained at room temperature successfully, a...Two crystals of receptor 1, C(42)H(52)N(10)O4S2(anthracene-9,10-dicarbaldehyde bis-(phenyl-semithiocarbazone)) and-1-H2PO4, C(68)H(114)N(10)O(10)P2S2 were obtained at room temperature successfully, and their structures were characterized by X-ray crystallography diffraction. X-ray diffraction reveals that, receptor 1 crystallizes in monoclinic, space group P21/c, with a = 9.487(3),b = 20.674(6), c = 11.821(4)A, β = 113.416(8)o, Mr = 825.06, V = 2127.5(12) A^3, Z = 2, Dc = 1.288g/cm^3, μ = 0.18 mm^-1, F(000) = 876, MoK α radiation(λ = 0.71073 A), the final R = 0.0472 and wR = 0.0930. A total of 3758 unique reflections were collected, of which 3313 with I 〉 2σ(I) were observed. Compound 1-H2PO4^-crystallizes in triclinic, space group P21/n, with a = 8.767(1), b =13.6190(15), c = 16.615(2) ?, α = 98.727(14), β = 103.061(14), γ = 91.382(16)°, Mr = 1357.75, V =1906.6(4) A^3, Z = 1, Dc = 1.183 g/cm^3, μ = 0.17 mm-(-1), F(000) = 734, MoK α radiation(λ = 0.71073?), the final R = 0.0769 and wR = 0.1884. A total of 6699 unique reflections were collected, of which 2989 with I 〉 2σ(I) were observed. As it was observed in the crystal structure of 1-H2PO4^-, 1bound H2PO4^-at a 1:2 ratio by intermolecular interaction of N-H···O hydrogen bond obviously.Another interesting feature was that H2PO4--groups assembled chains themselves via intramolecular hydrogen bond O-H···O and connected the 1 molecules together through the interaction of H-bonds,which improved the planarity of 1 and increased the stability of the entire structure.展开更多
The rational design and synthesis of metal-directed supramolecular framework compounds have received much attention in coordination chemistry because of their potential applications in catalysis, molecular selection, ...The rational design and synthesis of metal-directed supramolecular framework compounds have received much attention in coordination chemistry because of their potential applications in catalysis, molecular selection, nonlinear optics, ion exchange, and microelectronics. Many high-dimensional coordination complexes have been designed and prepared through molecular self-assembly processes. The open metal organic framework can be produced via two kinds of interactions, i. e. , coordinate covalent bonds and weaker intermolecular forces. For this reason, the most efficient means to synthesize these compounds is to establish possible connections among different units.展开更多
A novel manganese(H) coordination polymer [Mn(pdc)]n (pdc = pyridine-2,4- dicarboxylate) has been synthesized under hydrothermal conditions. The crystal is of monoclinic, space group P211n with a = 6.506(4), b...A novel manganese(H) coordination polymer [Mn(pdc)]n (pdc = pyridine-2,4- dicarboxylate) has been synthesized under hydrothermal conditions. The crystal is of monoclinic, space group P211n with a = 6.506(4), b = 9.392(6), c = 11.217(7) A, β = 105.650(12)°, V= 660.0(7)A3, Z = 4, Mr = 220.04, Dc = 2.215 g/cm3,μ = 1.971 mm-1, F(000) = 436, Rint = 0.0345, R = 0.0360 and wR = 0.0778 for 1259 observed reflections with I 〉 2σ(I). In the structure, the Mn(Ⅱ) atom is coordinated in a distorted octahedral arrangement by one pyridine N and five carboxylate O atoms from five pdc ligands, each of which coordinates to five Mn atoms to propagate a three-dimensional layered framework.展开更多
A novel coordination polymer [{Cd(hmbdc)(H20)3}-2H20],, (hmbdc = 5-hydroxyisophthalic acid) has been synthesized and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crys...A novel coordination polymer [{Cd(hmbdc)(H20)3}-2H20],, (hmbdc = 5-hydroxyisophthalic acid) has been synthesized and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P2Jc, with a = 9.599(3), b = 18.699(5), c = 7.557(2) A, r= 108.198(4)°, V= 1288.6(6) A3, Z= 4, M,.= 382.60, Dc = 1.972 g/cm^, F(000) = 760, p = 1.740, the final R =0.0555 and wR = 0.0995 for 1732 observed reflections with 1 〉 2σ(I). The structural analysis shows that the intermolecular hydrogen bonds and π-π interactions result in a three-dimensional supramolecular framework.展开更多
A novel 1,2-diaminocyclohexane(1,2-DACH) decorated manganese thiostannate,namely MnSnS_3(1,2-DACH)(1),has been solvothermally synthesized by the reaction of Mn(CH_3COO)_2·4H_2O,Sn and S in the stoichiomet...A novel 1,2-diaminocyclohexane(1,2-DACH) decorated manganese thiostannate,namely MnSnS_3(1,2-DACH)(1),has been solvothermally synthesized by the reaction of Mn(CH_3COO)_2·4H_2O,Sn and S in the stoichiometric ratio in 1,2-DACH,which acted as an efficient structure-directing agent(SDA) and reactive solvent in the formation of the title compound. Single-crystal X-ray diffraction studies revealed that the title compound crystallizes in the monoclinic space group P2_1/c with a = 12.2458(7),b = 13.8588(7),c = 7.2292(4) ?,β = 99.460(6)°,V = 1210.20(12) ?~3,Z = 4,Dc = 2.108 g·cm^(-3),F(000) = 748,μ = 3.584 mm^(-1),R = 0.0348 and wR = 0.0823(I 〉 2σ(I)). The structure features a neutral two-dimensional(2D) network constructed by the unsaturated [Mn(1,2-DACH)] complexes interconnecting [SnS_3]_n^(2n-) chains via sharing S. Thermal stability and optical property of compound 1 were characterized.展开更多
The reaction of Co^II ions with 1,4-bis(imidazol)butane(bimb) or 1,4-bis(triazol)butane(bitb) in the presence of ClO4^-, respectively affords two CoII coordination complexes, namely {[Co(bimb)3]·2ClO4}n...The reaction of Co^II ions with 1,4-bis(imidazol)butane(bimb) or 1,4-bis(triazol)butane(bitb) in the presence of ClO4^-, respectively affords two CoII coordination complexes, namely {[Co(bimb)3]·2ClO4}n(I) and {[Co(bitb)3]·2ClO4}n(II). Single-crystal X-ray analysis indicates that both complexes I and II show the same α-Po topological structures. However, complex I exhibits a 2-fold interpenetrating network, while complex II features a 3-fold interpenetrating network. In addition, solid-state properties such as thermal stabilities and magnetic properties of two complexes were also investigated.展开更多
A new 2D chiral cadmium coordination network [Cd(TCBA)2]?2EtOH (1) was prepared by the reaction of achiral angular asymmetric bridging ligand 2-((3,5-dimethyl- 4H-1,2,4-triazol-4-yl)-carbamoyl)-benzoic acid ...A new 2D chiral cadmium coordination network [Cd(TCBA)2]?2EtOH (1) was prepared by the reaction of achiral angular asymmetric bridging ligand 2-((3,5-dimethyl- 4H-1,2,4-triazol-4-yl)-carbamoyl)-benzoic acid (TCBA) with cadmium acetate, which was structurally characterized by IR, elemental analysis, thermogravimetric analysis and single-crystal X-ray diffraction. Complex 1 crystallizes in the chiral space group P21 and features a 2D chiral network consisting of two types of homo-chiral helices, which are further extended into a 3D chiral framework along the a-axis via hydrogen bonds. Moreover, powder second-order nonlinear optical (NLO) measurements reveal complex 1 has a modest second-harmonic-generation (SHG) efficiency at room temperature.展开更多
A new bis(imidazolium) compound,[H2L(H2btec)2]·H4btec(1,L=1,1'-(butane-1,4-diyl)bis(imidazole),H4btec=1,2,4,5-benzenetetracarboxylatic acid),has been synthesized and structurally characterized by singl...A new bis(imidazolium) compound,[H2L(H2btec)2]·H4btec(1,L=1,1'-(butane-1,4-diyl)bis(imidazole),H4btec=1,2,4,5-benzenetetracarboxylatic acid),has been synthesized and structurally characterized by single-crystal X-ray diffraction.The title compound crystallizes in the monoclinic system,space group Pnma,with a=13.3908(11),b=13.9249(12),c=16.2166(14),V=2957.6(4)3,Z=4,Mr=698.55,Dc=1.569 mg/m3,F(000)=1448,μ(MoKα)=0.130 mm-1,the final R=0.0584 and wR=0.1538 for 4295 observed reflections with I2σ(I).The compound consists of one 1,1'-(butane-1,4-diyl)bis(imidazolium) cation,one neutral H4btec and one H2btec2-(Only two para carboxyl groups are deprotonated,and two protonated ones remain free) anion.A one-dimensional hydrogen bonding chain and a 2D hydrogen bonding network are formed via intermolecular N–H…O and O–H…O hydrogen bonds.These adjacent chains are further stacked through intermolecular π-π and hydrogen bonding interactions to form a 3D supramolecular network.展开更多
Reactions of M(Ⅱ) acetate (M = Cu, Ni) with disodium 4,4'-biphenyldisulfonate (BPDS) and 2,2'-bipyridine (2,2'-bipy) yielded three new metal sulfonates formulated as {[Cu2(2,2'-bipy)2(H2O)(C2O4)(B...Reactions of M(Ⅱ) acetate (M = Cu, Ni) with disodium 4,4'-biphenyldisulfonate (BPDS) and 2,2'-bipyridine (2,2'-bipy) yielded three new metal sulfonates formulated as {[Cu2(2,2'-bipy)2(H2O)(C2O4)(BPDS)]·2H2O}n 1, [Cu(2,2'-Bipy)(H2O)3](BPDS)'2H2O 2 and [Ni(2,2'-Bipy)(H2O)4](BPDS)·2.5H2O 3. These three compounds were characterized by elemental analyses, FT-IR spectra, TG-DTA analyses and single-crystal X-ray diffraction analyses. Compound 1 belongs to the monoclinic system, space group P21/c with a = 17.7942(2), b = 10.1369(10), c = 19.8681(3) A, β = 104.323(10)°, V = 3472.20(7)A3, Mr = 893.82, Z = 4, F(000) = 1824,μ(CuKa) = 3.295 mm-1, R = 0.0427 and wR = 0.1278. Compound 2 is of orthorhombic system, space group Pca21 with a = 20.1016(7), b = 7.2460(2), c = 17.4802(6)A, V= 2546.10(14)A3, Mr = 622.11, Z= 4, F(000) = 1284,μ (CuKα) = 3.314 mm-1, R = 0.0415 and wR = 0.1291. Compound 3 belongs to the monoclinic system, space group C2/c with a = 15.9204(5), b = 11.7511(4), c = 15.2559(4)A, β = 98.886(3)°, V = 2819.85(15)A3, Mr = 1288.60, Z = 2, F(000) = 1340,μ(CuKa) = 2.957 mm^-1, R = 0.0515 and wR = 0.1454. Compound 1 is composed of one-dimensional helical chains of [Cu2(2,2'-bipy)2(H2O)(C2O4)]2+ fragments bridged alternately by 4,4'-biphenyldisulfonate ligands, along the c axis of the unit cell. In compound 2, 4,4'-biphenyldisulfonate anions are arranged in a zigzag mode and interact with the lattice waters via hydrogen bonds resulting in the formation of infinite chains. Adjacent chains are linked by lattice waters to form 2D extended sheets. The complex cations are located in the interlayer regions and interact with the sheets through hydrogen bonds. In compound 3, the Ni center resides at a crystallographic inversion center and adopts a distorted octahedral coordination sphere. The complex cations interact with 4,4'-biphenyldisulfonate anions via O-H…O hydrogen bonds, creating 2D extended grid structures. The lattice waters are located in the interlayer regions.展开更多
The title complex Mn(H2O)2(HNic)2 (C22H12MnN2O8, Mr = 367.18) crystallizes in monoclinic, space group P21/c with a = 7.5735(8), b = 12.5295(13), c = 7.6466(8)A.β = 101.2790(10)°, Z = 2, V= 711.59...The title complex Mn(H2O)2(HNic)2 (C22H12MnN2O8, Mr = 367.18) crystallizes in monoclinic, space group P21/c with a = 7.5735(8), b = 12.5295(13), c = 7.6466(8)A.β = 101.2790(10)°, Z = 2, V= 711.59(13) A^3, D, = 1.714 g/cm^3,μ(MoKa) = 0.974 mm^-1, F(000) = 374, R1 (1255 observed reflections (Ⅰ 〉 2σ(Ⅰ)) = 0.0250) and wR2 = 0.0662 (all data). In this paper, we report the complexation of Mn(Ⅱ) by the bidentate ligand 2-hydroxynicotinic acid (HNic). In the crystal the Mn(Ⅱ) ion exhibits a deformed octahedron structure. The title complex Mn(H2O)2(HNic)2 has a three-dimensional (3D) network structure extended by hydrogen bonds, which are formed by two typical eight-membered hydrogen-bonded rings.展开更多
基金the Deanship of Scientific Research(DSR)at King Abdulaziz University,Jeddah,under Grant No.RG-29-135-38.
文摘Due to the combinatorial nature of graphs they are used easily in pure sciences and social sciences.The dynamical arrangement of vertices and their associated edges make them flexible(like liquid)to attain the shape of any physical structure or phenomenon easily.In the field of ICT they are used to reflect distributed component and communication among them.Mathematical chemistry is another interesting domain of applied mathematics that endeavors to display the structure of compounds that are formed in result of chemical reactions.This area attracts the researchers due to its applications in theoretical and organic chemistry.It also inspires the mathematicians due to involvement of mathematical structures.Regular or irregular bonding ability of molecules and their formation of chemical compounds can be analyzed using atomic valences(vertex degrees).Pictorial representation of these compounds helps in identifying their properties by computing different graph invariants that is really considered as an application of graph theory.This paper reflects the work on topological indices such as ev-degree Zagreb index,the first ve-degree Zagrebindex,the first ve-degree Zagrebindex,the second ve-degree Zagreb index,ve-degree Randic index,the ev-degree Randic index,the ve-degree atom-bond connectivity index,the ve-degree geometric-arithmetic index,the ve-degree harmonic index and the ve-degree sum-connectivity index for crystal structural networks namely,bismuth tri-iodide and lead chloride.In this article we have determine the exact values of ve-degree and ev-degree based topological descriptors for crystal networks.
文摘A zinc complex, [Zn(iso)_2(H_2O)_4](iso=C_6H_4NO_2^-), was synthesized and characterized by elemental analysis, thermal analysis and IR spectrum studies. The crystal structure of the complex was determined by X-ray diffraction. The crystal crystallizes in the triclinic system, molecular formula ZnC12H16N2O8, Mr=381.64, space group P with a = 6.338(1), b =6.919(1), c=9.277(1), α=96.28(1), β=104.91(1), γ=112.85(1)°, V=352.12(9)?3, Z=1, Dc=1.80g?cm-3 and F(000)=196, μ =1.791mm-1. The crystal structure was solved by direct methods for final R=0.0204 and Rw=0.0542 for 1258 observed reflections with [Fo>4σ(Fo)]. The crystal structure reveals that zinc ion is trans-octahedral with two pyridyl nitrogens and two aque oxygens at the equational positions and two aqua oxygens at the axial positions. The complex forms a three-dimensional network through intermolecular hydrogen bonds.
文摘A novel three dimensional network complex polymer [Cu_4(oxen)_2(N_3)_3]_n(ClO_4)_n·2nH_2O, where oxen is N,N' -bis(2-aminoethyl)oxamide dianion, has been synthesized. It crystallizes in triclinic system, space group P, with a=11.486(2), b=11.706(3), c=12.291(3) , α=77.42(2), β=67.59(2), γ=77.96(2)°, and z=2. The least-square refinements converged at R=0.047, with 3416 observed unique reflections. The complex has a pronounced three-dimensional character and can be viewed as the tetranuclear asymmetric repeating units through inversion and translation operations to extend a three-dimensional network. The structure of Cu_4 asymmetric unit consists of two square planar and two square pyramidal Cu central atoms linked by both azide ligands in end-on and end-to-end bonding modes, and oxamidate bridge in trans conformation.
文摘The advanced design of a 10 × 1 linear antenna array system with the capa-bility of frequency tunability using GT3-23001 liquid crystal (LC) is pro-posed. The design for this reconfigurable wideband antenna array for 5G ap-plications at Ka-band millimeter-wave (mmw) consists of a double layer of stacked patch antenna with aperture coupled feeding. The bias voltage over LC varies from 0 V to 10.6 V to achieve a frequency tunability of 1.18 GHz. The array operates from 25.3 GHz to 33.8 GHz with a peak gain of 19.2 dB and a beamwidth of 5.2<span style="white-space:nowrap;">°</span> at 30 GHz. The proposed reconfigurable antenna ar-ray represents a real and efficient solution for the recent and future mmw 5G networks. The proposed antenna is suitable for 5G base stations in stadiums, malls and convention centers. It is proper for satellite communications and radars at mmw.
基金Supported by the Fundamental Research Funds for the Central University(No.2012-Ia-040)the Scientific and Technological Project of Hubei Province(No.2002AA105A01)
文摘Acetanilide (AC), adipic acid (AA) and potassium hydrogen phthalate (PHP) were chosen as additives to accelerate PVC crystallization and improve its mechanical properties. The influences of the additives and annealing on the crystallization behavior, micromorphology and the tensile properties were investigated by the thermal analysis, scanning electron microscopy (SEM) and the tensile test. Based on the analysis results, it was concluded that the melting peaks ranging from 110 to 200 ℃ and 200 to 240 ℃ were caused by the fusion of the fringed micelle crystals and chain-folded crystals respectively. AC advanced the fringed micelle crystal to develop, while AA and PHP promoted obviously the chain-folded crystal to grow. The addition of the foreign additives did not change the growth pattern ofPVC crystallites, the growth of the micelle crystal was favorable at 110 ℃, and the chain-folded crystal was developed at higher temperature. For PVC/ AA and PVC/PHP, when annealed at 110 ℃, a regular nest like network was formed, the crystallinity and the crystallite size were increased as well, and as a result, the tensile strength, Young's modulus and the elongation at break point were improved simultaneously and greatly.
基金supported by the China Postdoctoral Science Foundation(No.2014M551053)Natural Science Foundation of Hebei Province(No.B2015203124)Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education),Nankai University
文摘Two crystals of receptor 1, C(42)H(52)N(10)O4S2(anthracene-9,10-dicarbaldehyde bis-(phenyl-semithiocarbazone)) and-1-H2PO4, C(68)H(114)N(10)O(10)P2S2 were obtained at room temperature successfully, and their structures were characterized by X-ray crystallography diffraction. X-ray diffraction reveals that, receptor 1 crystallizes in monoclinic, space group P21/c, with a = 9.487(3),b = 20.674(6), c = 11.821(4)A, β = 113.416(8)o, Mr = 825.06, V = 2127.5(12) A^3, Z = 2, Dc = 1.288g/cm^3, μ = 0.18 mm^-1, F(000) = 876, MoK α radiation(λ = 0.71073 A), the final R = 0.0472 and wR = 0.0930. A total of 3758 unique reflections were collected, of which 3313 with I 〉 2σ(I) were observed. Compound 1-H2PO4^-crystallizes in triclinic, space group P21/n, with a = 8.767(1), b =13.6190(15), c = 16.615(2) ?, α = 98.727(14), β = 103.061(14), γ = 91.382(16)°, Mr = 1357.75, V =1906.6(4) A^3, Z = 1, Dc = 1.183 g/cm^3, μ = 0.17 mm-(-1), F(000) = 734, MoK α radiation(λ = 0.71073?), the final R = 0.0769 and wR = 0.1884. A total of 6699 unique reflections were collected, of which 2989 with I 〉 2σ(I) were observed. As it was observed in the crystal structure of 1-H2PO4^-, 1bound H2PO4^-at a 1:2 ratio by intermolecular interaction of N-H···O hydrogen bond obviously.Another interesting feature was that H2PO4--groups assembled chains themselves via intramolecular hydrogen bond O-H···O and connected the 1 molecules together through the interaction of H-bonds,which improved the planarity of 1 and increased the stability of the entire structure.
基金Supported by the Education Office of Jilin Province of China(No 0047)
文摘The rational design and synthesis of metal-directed supramolecular framework compounds have received much attention in coordination chemistry because of their potential applications in catalysis, molecular selection, nonlinear optics, ion exchange, and microelectronics. Many high-dimensional coordination complexes have been designed and prepared through molecular self-assembly processes. The open metal organic framework can be produced via two kinds of interactions, i. e. , coordinate covalent bonds and weaker intermolecular forces. For this reason, the most efficient means to synthesize these compounds is to establish possible connections among different units.
基金This project was supported by the NNSFC (No. 20471061)the Science & Technology Innovation Foundation for the Young Scholar of Fujian Province (No. 2005J059)
文摘A novel manganese(H) coordination polymer [Mn(pdc)]n (pdc = pyridine-2,4- dicarboxylate) has been synthesized under hydrothermal conditions. The crystal is of monoclinic, space group P211n with a = 6.506(4), b = 9.392(6), c = 11.217(7) A, β = 105.650(12)°, V= 660.0(7)A3, Z = 4, Mr = 220.04, Dc = 2.215 g/cm3,μ = 1.971 mm-1, F(000) = 436, Rint = 0.0345, R = 0.0360 and wR = 0.0778 for 1259 observed reflections with I 〉 2σ(I). In the structure, the Mn(Ⅱ) atom is coordinated in a distorted octahedral arrangement by one pyridine N and five carboxylate O atoms from five pdc ligands, each of which coordinates to five Mn atoms to propagate a three-dimensional layered framework.
基金Supported by the National Natural Science Foundation of China (20571039, 20171020) the Ministry of Education of China (20050284031)
文摘A novel coordination polymer [{Cd(hmbdc)(H20)3}-2H20],, (hmbdc = 5-hydroxyisophthalic acid) has been synthesized and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P2Jc, with a = 9.599(3), b = 18.699(5), c = 7.557(2) A, r= 108.198(4)°, V= 1288.6(6) A3, Z= 4, M,.= 382.60, Dc = 1.972 g/cm^, F(000) = 760, p = 1.740, the final R =0.0555 and wR = 0.0995 for 1732 observed reflections with 1 〉 2σ(I). The structural analysis shows that the intermolecular hydrogen bonds and π-π interactions result in a three-dimensional supramolecular framework.
基金Financial support from the NNSFC(No.21373223)Chunmiao project of Haixi Institute of Chinese Academy of Sciences(CMZX-2014-001)
文摘A novel 1,2-diaminocyclohexane(1,2-DACH) decorated manganese thiostannate,namely MnSnS_3(1,2-DACH)(1),has been solvothermally synthesized by the reaction of Mn(CH_3COO)_2·4H_2O,Sn and S in the stoichiometric ratio in 1,2-DACH,which acted as an efficient structure-directing agent(SDA) and reactive solvent in the formation of the title compound. Single-crystal X-ray diffraction studies revealed that the title compound crystallizes in the monoclinic space group P2_1/c with a = 12.2458(7),b = 13.8588(7),c = 7.2292(4) ?,β = 99.460(6)°,V = 1210.20(12) ?~3,Z = 4,Dc = 2.108 g·cm^(-3),F(000) = 748,μ = 3.584 mm^(-1),R = 0.0348 and wR = 0.0823(I 〉 2σ(I)). The structure features a neutral two-dimensional(2D) network constructed by the unsaturated [Mn(1,2-DACH)] complexes interconnecting [SnS_3]_n^(2n-) chains via sharing S. Thermal stability and optical property of compound 1 were characterized.
基金Supported by the National Natural Science Foundation of China(Nos.21301106,21201109 and 21373122)
文摘The reaction of Co^II ions with 1,4-bis(imidazol)butane(bimb) or 1,4-bis(triazol)butane(bitb) in the presence of ClO4^-, respectively affords two CoII coordination complexes, namely {[Co(bimb)3]·2ClO4}n(I) and {[Co(bitb)3]·2ClO4}n(II). Single-crystal X-ray analysis indicates that both complexes I and II show the same α-Po topological structures. However, complex I exhibits a 2-fold interpenetrating network, while complex II features a 3-fold interpenetrating network. In addition, solid-state properties such as thermal stabilities and magnetic properties of two complexes were also investigated.
基金supported by the National Natural Science Foundation of China(No.21201111,21401099 and 51204104)
文摘A new 2D chiral cadmium coordination network [Cd(TCBA)2]?2EtOH (1) was prepared by the reaction of achiral angular asymmetric bridging ligand 2-((3,5-dimethyl- 4H-1,2,4-triazol-4-yl)-carbamoyl)-benzoic acid (TCBA) with cadmium acetate, which was structurally characterized by IR, elemental analysis, thermogravimetric analysis and single-crystal X-ray diffraction. Complex 1 crystallizes in the chiral space group P21 and features a 2D chiral network consisting of two types of homo-chiral helices, which are further extended into a 3D chiral framework along the a-axis via hydrogen bonds. Moreover, powder second-order nonlinear optical (NLO) measurements reveal complex 1 has a modest second-harmonic-generation (SHG) efficiency at room temperature.
基金supported by the Natural Science Foundation of Henan Province (No 092102310075)
文摘A new bis(imidazolium) compound,[H2L(H2btec)2]·H4btec(1,L=1,1'-(butane-1,4-diyl)bis(imidazole),H4btec=1,2,4,5-benzenetetracarboxylatic acid),has been synthesized and structurally characterized by single-crystal X-ray diffraction.The title compound crystallizes in the monoclinic system,space group Pnma,with a=13.3908(11),b=13.9249(12),c=16.2166(14),V=2957.6(4)3,Z=4,Mr=698.55,Dc=1.569 mg/m3,F(000)=1448,μ(MoKα)=0.130 mm-1,the final R=0.0584 and wR=0.1538 for 4295 observed reflections with I2σ(I).The compound consists of one 1,1'-(butane-1,4-diyl)bis(imidazolium) cation,one neutral H4btec and one H2btec2-(Only two para carboxyl groups are deprotonated,and two protonated ones remain free) anion.A one-dimensional hydrogen bonding chain and a 2D hydrogen bonding network are formed via intermolecular N–H…O and O–H…O hydrogen bonds.These adjacent chains are further stacked through intermolecular π-π and hydrogen bonding interactions to form a 3D supramolecular network.
基金Supported by the Natural Science Foundation of Henan Institute of Science and Technology (No. 06038)
文摘Reactions of M(Ⅱ) acetate (M = Cu, Ni) with disodium 4,4'-biphenyldisulfonate (BPDS) and 2,2'-bipyridine (2,2'-bipy) yielded three new metal sulfonates formulated as {[Cu2(2,2'-bipy)2(H2O)(C2O4)(BPDS)]·2H2O}n 1, [Cu(2,2'-Bipy)(H2O)3](BPDS)'2H2O 2 and [Ni(2,2'-Bipy)(H2O)4](BPDS)·2.5H2O 3. These three compounds were characterized by elemental analyses, FT-IR spectra, TG-DTA analyses and single-crystal X-ray diffraction analyses. Compound 1 belongs to the monoclinic system, space group P21/c with a = 17.7942(2), b = 10.1369(10), c = 19.8681(3) A, β = 104.323(10)°, V = 3472.20(7)A3, Mr = 893.82, Z = 4, F(000) = 1824,μ(CuKa) = 3.295 mm-1, R = 0.0427 and wR = 0.1278. Compound 2 is of orthorhombic system, space group Pca21 with a = 20.1016(7), b = 7.2460(2), c = 17.4802(6)A, V= 2546.10(14)A3, Mr = 622.11, Z= 4, F(000) = 1284,μ (CuKα) = 3.314 mm-1, R = 0.0415 and wR = 0.1291. Compound 3 belongs to the monoclinic system, space group C2/c with a = 15.9204(5), b = 11.7511(4), c = 15.2559(4)A, β = 98.886(3)°, V = 2819.85(15)A3, Mr = 1288.60, Z = 2, F(000) = 1340,μ(CuKa) = 2.957 mm^-1, R = 0.0515 and wR = 0.1454. Compound 1 is composed of one-dimensional helical chains of [Cu2(2,2'-bipy)2(H2O)(C2O4)]2+ fragments bridged alternately by 4,4'-biphenyldisulfonate ligands, along the c axis of the unit cell. In compound 2, 4,4'-biphenyldisulfonate anions are arranged in a zigzag mode and interact with the lattice waters via hydrogen bonds resulting in the formation of infinite chains. Adjacent chains are linked by lattice waters to form 2D extended sheets. The complex cations are located in the interlayer regions and interact with the sheets through hydrogen bonds. In compound 3, the Ni center resides at a crystallographic inversion center and adopts a distorted octahedral coordination sphere. The complex cations interact with 4,4'-biphenyldisulfonate anions via O-H…O hydrogen bonds, creating 2D extended grid structures. The lattice waters are located in the interlayer regions.
基金This work was supported by the National Natural Science Foundation of China (No. 50572040)
文摘The title complex Mn(H2O)2(HNic)2 (C22H12MnN2O8, Mr = 367.18) crystallizes in monoclinic, space group P21/c with a = 7.5735(8), b = 12.5295(13), c = 7.6466(8)A.β = 101.2790(10)°, Z = 2, V= 711.59(13) A^3, D, = 1.714 g/cm^3,μ(MoKa) = 0.974 mm^-1, F(000) = 374, R1 (1255 observed reflections (Ⅰ 〉 2σ(Ⅰ)) = 0.0250) and wR2 = 0.0662 (all data). In this paper, we report the complexation of Mn(Ⅱ) by the bidentate ligand 2-hydroxynicotinic acid (HNic). In the crystal the Mn(Ⅱ) ion exhibits a deformed octahedron structure. The title complex Mn(H2O)2(HNic)2 has a three-dimensional (3D) network structure extended by hydrogen bonds, which are formed by two typical eight-membered hydrogen-bonded rings.