As a new type of green energy, lithium-ion battery(LIB) has been widely used in various electric portable devices because of its high-voltage, large specific capacity, long cycle life and environmental friendliness [1...As a new type of green energy, lithium-ion battery(LIB) has been widely used in various electric portable devices because of its high-voltage, large specific capacity, long cycle life and environmental friendliness [1,2]. However, today’s anode materials of commercial LIBs cannot meet the further development requirements of smart devices and electric car due to the limitations of the electrode capacity(e.g. 372 mAh g-1 for graphite).展开更多
A novel heteropoly compound, containing two kinds of coordinated cations, [K(H2O)2Ni(H2O)6]2, has been synthesized through routine process and characterized by elemental analyses, IR, 51V NMR and single crystal X-ray ...A novel heteropoly compound, containing two kinds of coordinated cations, [K(H2O)2Ni(H2O)6]2, has been synthesized through routine process and characterized by elemental analyses, IR, 51V NMR and single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a=0.873 82(17) nm, b=1.075 4(2) nm, c=1.111 1(2) nm, α=65.10(3)°, β=75.01(3)°, γ=70.63(3)°, V=0.884 8(3) nm3 and Z=1. The X-ray analysis reveals that the two kinds of coordinated cations are linked by three shared coordinated water molecules, and K+ cations coordinate with ten oxygen atoms: five of which come from V10O286- anion, the other five from water molecules. The title compound exhibits extended 2D array building up of V10O286- groups connected by ten-coordinated K+ cations. The hexahydrated nickel cations Ni(H2O)62+ lie in neat apposition to three adjacent V10O286- clusters. CSD: 413271.展开更多
A new coordination polymer [Cd（bimc）2]n was obtained by the reaction of Hbimc with Cd（NO3） 2·4H2O in NaOH solution, and characterized by elemental analysis, IR and singlecrystal X-ray diffraction. The crystal...A new coordination polymer [Cd（bimc）2]n was obtained by the reaction of Hbimc with Cd（NO3） 2·4H2O in NaOH solution, and characterized by elemental analysis, IR and singlecrystal X-ray diffraction. The crystal belongs to orthorhombic, space group Pbcn with a = 12.533（4）, b = 15.705（5）, c = 15.200（5） A, V= 2991.8（15） A^3, Mr = 434.68, Z = 8, Dc = 1.930 g/cm^3, F（000） = 1712,μ（MoKa） = 1.492 mm^-1, the final R = 0.0410 and wR = 0.0804 for 1661 observed reflections （I 〉 2σ（I））. The Cd atom exhibits a distorted six-coordinate CdNzOa octahedral coordination geometry. The complex molecules are linked by both μ2-（η2-O, O^-）, NI and μ2-（η2-O, O^-）, N3 coordination modes of ligands to form cross-like wave （4, 4） layer structures which are further stacked through interlayer hydrogen bonds and π-π stacking interactions in an offset fashion to form a 3D supramolecular structure.展开更多
The title compound, [HgI2（C12H8N4S）], has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 14.086（2）, b = 6.0365（6）, c = ...The title compound, [HgI2（C12H8N4S）], has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 14.086（2）, b = 6.0365（6）, c = 20.286（2）°A,β= 108.818（5）°, V = 1632.7（3）°A^3, Mr = 694.67, Z = 4, D, = 2.826 g/cm^3,μ= 13.331 mm^-1, F（000） = 1240, S = 1.108, the final R = 0.0438 and wR = 0.0934 for 3085 observed reflections （I〉 2σ（I））. The Hg（Ⅱ） atom is coordinated by two 2,5-bis（4-pyridyl）-1,3,4-thiadiazole （L） molecules and two iodine anions in a distorted tetrahedral coordination geometry. Mercury atoms are linked by the organic ligands to form a one-dimensional zigzag chain. It is noteworthy that such 1D zigzag chains are extended into a two-dimensional double layer framework through I…I interactions展开更多
A new thiostannate,[tmdpH2]Sn3S7 1（tmdp = 4,4＇-trimethylenedipiperidine）,has been synthesized under solvothermal conditions and characterized by elemental analysis,IR spectroscopy,and single-crystal X-ray diffracti...A new thiostannate,[tmdpH2]Sn3S7 1（tmdp = 4,4＇-trimethylenedipiperidine）,has been synthesized under solvothermal conditions and characterized by elemental analysis,IR spectroscopy,and single-crystal X-ray diffraction analysis.In 1,the Sn3S4 secondary incomplete cubane-like building units are bridged by μ2-S atoms to form Sn12S12 rings which are then joined parallelly to the [001] plane,giving the final 2D（Sn3S7^2-）n layer of（6,3） network.The layers are stacked along the c axis so that 24-membered ring channels are generated,in which the organic cations are accommodated.The compound crystallizes in monoclinic,space group C2/c,with a=23.052（3）,b=13.4039（12）,c=18.412（2）A,β=120.112（4）°,V=4921.3（9）A^3,C13H28N2S7Sn3,Mr=792.86,Z=8,Dc=2.140 g/cm^3,F（000）=3056,μ=3.619 mm^-1,the final R=0.0488 and wR=0.1125 for 4607 observed reflections with I〉2σ（I）.展开更多
A new zinc（Ⅱ） compound, [Zn（BTA）（UCA）]n （1, HBTA = 1,2,3-benzotriazole, HUCA = 4-imidazoleacrylic acid）, has been synthesized via the hydrothermal reactions of Zn（OAC）2.2H20, HBTA and HUCA. The crystal stru...A new zinc（Ⅱ） compound, [Zn（BTA）（UCA）]n （1, HBTA = 1,2,3-benzotriazole, HUCA = 4-imidazoleacrylic acid）, has been synthesized via the hydrothermal reactions of Zn（OAC）2.2H20, HBTA and HUCA. The crystal structure is of monoclinic, space group P21/c with a = 7.450（3）, b = 18.911 （8）, c = 9.198（4） A, fl = 94.317（8）°, V = 1292.2（9） A3, C12HgNsO2Zn, Mr = 320.63, Z = 4, Dc = 1.648 g/cm3, F（000） = 648,/z = 1.909 mm-1, R= 0.0255 and wR= 0.0655 for 2104 observed reflections （I 〉 2a（/））. Single-crystal X-ray diffraction analysis revealed that compound 1 features a two-dimensional （2D） layered framework based on benzotriazole controlled dinuclear [Zn2（BTA）2] subunits. Furthermore, these 2D layers are threaded into a 3D supramolecular framework via the direction of intermolecular hydrogen bonds and π-π interactions. In addition, the thermal stability and fluorescence property of compound 1 were also investigated.展开更多
A new ion-pair complex, [BzMeQ1]2[Ni（nmt）2]1（[BzMeQ1]^＋ = 1-benzyl-4-ntethylquino- linium, mnta- -- maleonitriledithiolate） has been synthesized and structurally characterized by IR, ESI-MS and X-ray diffraction ...A new ion-pair complex, [BzMeQ1]2[Ni（nmt）2]1（[BzMeQ1]^＋ = 1-benzyl-4-ntethylquino- linium, mnta- -- maleonitriledithiolate） has been synthesized and structurally characterized by IR, ESI-MS and X-ray diffraction methods. Complex 1 is of triclinic, space group PI, with a = 9.079（2）, b = 10.154（2）, c = 11.243（2）A, α= 81.58（1）, β= 69.63（1）, γ = 68.02（1）°, V= 940.1（3）A3, Dc = 1.427 g/cm^3, Z = 1, F（000） = 418 and R = 0.0442. A 2D layer structure is formed via the cation-cation π…π and C-H…π interactions observed in the solid state of the complex.展开更多
The title compound, [Cu2（DMPz）2PMo12O40]·HDMPz （1, DMPz = 2,5-dimethyl pyrazine）, has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group...The title compound, [Cu2（DMPz）2PMo12O40]·HDMPz （1, DMPz = 2,5-dimethyl pyrazine）, has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1 with a = 11.075（2）, b = 11.551（2）, c = 11.886（2） A.α = 106.352（2）, β = 109.862（3）, γ = 109.504（1）°, V = 1206.8（3） A3, C18H26CU2Mo12N6O40P, Mr = 2275.78, Z = 1, Dc = 3.131 g/cm3, μ = 4.011 mm^-1, F（000） = 1073, S = 1.066, the final R = 0.0389 and wR = 0.1056 for 3739 observed reflections with I 〉 2σ（I）. The structural analysis indicates that the title compound is composed of Keggin clusters [PMo12O40]3- connected by one-dimensional [CB（DMPz）]2n^2n＋ chains to form a two-dimensional grid layer with holes occupied by monoprotonated DMPz molecules. In the solid of the title compound, the 2D grid layers are stacked together in an ABAB packing mode.展开更多
基金supported by National Key Research and Development Program of China (No.2017YFB0702100)the National Natural Science Foundation of China (No.11404017)+4 种基金Technology Foundation for Selected Overseas Chinese Scholar, Ministry of Human Resources and Social Security of China, Beijing Natural Science Foundation (No.20192029)supported by the European Regional Development Fund in the IT4Innovations National Supercomputing Center-Path to Exascale project, No.CZ.02.1.01/ 0.0/0.0/16_013/0001791 within the Operational Programme Research, Development and Education by the Ministry of Education, Youth, and Sport of the Czech Republicgrant No.17-27790S of the Czech Science FoundationsMobility grant No.8J18DE004 of the Ministry of Education, Youngth and Sports of the Czech RepublicSGS No.SP2019/110。
文摘As a new type of green energy, lithium-ion battery(LIB) has been widely used in various electric portable devices because of its high-voltage, large specific capacity, long cycle life and environmental friendliness [1,2]. However, today’s anode materials of commercial LIBs cannot meet the further development requirements of smart devices and electric car due to the limitations of the electrode capacity(e.g. 372 mAh g-1 for graphite).
文摘A novel heteropoly compound, containing two kinds of coordinated cations, [K(H2O)2Ni(H2O)6]2, has been synthesized through routine process and characterized by elemental analyses, IR, 51V NMR and single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a=0.873 82(17) nm, b=1.075 4(2) nm, c=1.111 1(2) nm, α=65.10(3)°, β=75.01(3)°, γ=70.63(3)°, V=0.884 8(3) nm3 and Z=1. The X-ray analysis reveals that the two kinds of coordinated cations are linked by three shared coordinated water molecules, and K+ cations coordinate with ten oxygen atoms: five of which come from V10O286- anion, the other five from water molecules. The title compound exhibits extended 2D array building up of V10O286- groups connected by ten-coordinated K+ cations. The hexahydrated nickel cations Ni(H2O)62+ lie in neat apposition to three adjacent V10O286- clusters. CSD: 413271.
基金This work was supported by the NNSFC (No. 30460153 20561001), NSF of Guangxi Province (No. 0447019), and the Teaching and Research Award Program for Outstanding Young Teachers in Higher Education Institutions of Chinese Ministry of Education
文摘A new coordination polymer [Cd（bimc）2]n was obtained by the reaction of Hbimc with Cd（NO3） 2·4H2O in NaOH solution, and characterized by elemental analysis, IR and singlecrystal X-ray diffraction. The crystal belongs to orthorhombic, space group Pbcn with a = 12.533（4）, b = 15.705（5）, c = 15.200（5） A, V= 2991.8（15） A^3, Mr = 434.68, Z = 8, Dc = 1.930 g/cm^3, F（000） = 1712,μ（MoKa） = 1.492 mm^-1, the final R = 0.0410 and wR = 0.0804 for 1661 observed reflections （I 〉 2σ（I））. The Cd atom exhibits a distorted six-coordinate CdNzOa octahedral coordination geometry. The complex molecules are linked by both μ2-（η2-O, O^-）, NI and μ2-（η2-O, O^-）, N3 coordination modes of ligands to form cross-like wave （4, 4） layer structures which are further stacked through interlayer hydrogen bonds and π-π stacking interactions in an offset fashion to form a 3D supramolecular structure.
基金This work was supported by the 973 Program of the MOST (001CB108906) and the Natural Science Foundation of Fujian Province (2005HZ01-1)
文摘The title compound, [HgI2（C12H8N4S）], has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 14.086（2）, b = 6.0365（6）, c = 20.286（2）°A,β= 108.818（5）°, V = 1632.7（3）°A^3, Mr = 694.67, Z = 4, D, = 2.826 g/cm^3,μ= 13.331 mm^-1, F（000） = 1240, S = 1.108, the final R = 0.0438 and wR = 0.0934 for 3085 observed reflections （I〉 2σ（I））. The Hg（Ⅱ） atom is coordinated by two 2,5-bis（4-pyridyl）-1,3,4-thiadiazole （L） molecules and two iodine anions in a distorted tetrahedral coordination geometry. Mercury atoms are linked by the organic ligands to form a one-dimensional zigzag chain. It is noteworthy that such 1D zigzag chains are extended into a two-dimensional double layer framework through I…I interactions
基金supported by the 973 Program (2007CB815301 and 2006CB932904)the National Natural Science Foundation of China (20333070, 20673118, 20871114)+1 种基金the Science Foundation of CAS (KJCX2-YW-M05)Fujian Province (2006L2005, 2006J0014, 2006F3132)
文摘A new thiostannate,[tmdpH2]Sn3S7 1（tmdp = 4,4＇-trimethylenedipiperidine）,has been synthesized under solvothermal conditions and characterized by elemental analysis,IR spectroscopy,and single-crystal X-ray diffraction analysis.In 1,the Sn3S4 secondary incomplete cubane-like building units are bridged by μ2-S atoms to form Sn12S12 rings which are then joined parallelly to the [001] plane,giving the final 2D（Sn3S7^2-）n layer of（6,3） network.The layers are stacked along the c axis so that 24-membered ring channels are generated,in which the organic cations are accommodated.The compound crystallizes in monoclinic,space group C2/c,with a=23.052（3）,b=13.4039（12）,c=18.412（2）A,β=120.112（4）°,V=4921.3（9）A^3,C13H28N2S7Sn3,Mr=792.86,Z=8,Dc=2.140 g/cm^3,F（000）=3056,μ=3.619 mm^-1,the final R=0.0488 and wR=0.1125 for 4607 observed reflections with I〉2σ（I）.
基金Supported by the 973 Program of China(2011CBA00505)the"Strategic Priority Research Program"of the Chinese Academy of Sciences(XDA07070200,XDA09030102)the Science Foundation of Fujian Province(2006L2005)
文摘A new zinc（Ⅱ） compound, [Zn（BTA）（UCA）]n （1, HBTA = 1,2,3-benzotriazole, HUCA = 4-imidazoleacrylic acid）, has been synthesized via the hydrothermal reactions of Zn（OAC）2.2H20, HBTA and HUCA. The crystal structure is of monoclinic, space group P21/c with a = 7.450（3）, b = 18.911 （8）, c = 9.198（4） A, fl = 94.317（8）°, V = 1292.2（9） A3, C12HgNsO2Zn, Mr = 320.63, Z = 4, Dc = 1.648 g/cm3, F（000） = 648,/z = 1.909 mm-1, R= 0.0255 and wR= 0.0655 for 2104 observed reflections （I 〉 2a（/））. Single-crystal X-ray diffraction analysis revealed that compound 1 features a two-dimensional （2D） layered framework based on benzotriazole controlled dinuclear [Zn2（BTA）2] subunits. Furthermore, these 2D layers are threaded into a 3D supramolecular framework via the direction of intermolecular hydrogen bonds and π-π interactions. In addition, the thermal stability and fluorescence property of compound 1 were also investigated.
基金the President's Science Foundation of South China Agricultural University (No. 2005K092)
文摘A new ion-pair complex, [BzMeQ1]2[Ni（nmt）2]1（[BzMeQ1]^＋ = 1-benzyl-4-ntethylquino- linium, mnta- -- maleonitriledithiolate） has been synthesized and structurally characterized by IR, ESI-MS and X-ray diffraction methods. Complex 1 is of triclinic, space group PI, with a = 9.079（2）, b = 10.154（2）, c = 11.243（2）A, α= 81.58（1）, β= 69.63（1）, γ = 68.02（1）°, V= 940.1（3）A3, Dc = 1.427 g/cm^3, Z = 1, F（000） = 418 and R = 0.0442. A 2D layer structure is formed via the cation-cation π…π and C-H…π interactions observed in the solid state of the complex.
基金supported by the Natural Science Foundation of Fujian Province (2006F3135,2006F3141,2007HZ0001-1)the Fund of Fujian Key Laboratory of Nanomaterials (2006L2005)
文摘The title compound, [Cu2（DMPz）2PMo12O40]·HDMPz （1, DMPz = 2,5-dimethyl pyrazine）, has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1 with a = 11.075（2）, b = 11.551（2）, c = 11.886（2） A.α = 106.352（2）, β = 109.862（3）, γ = 109.504（1）°, V = 1206.8（3） A3, C18H26CU2Mo12N6O40P, Mr = 2275.78, Z = 1, Dc = 3.131 g/cm3, μ = 4.011 mm^-1, F（000） = 1073, S = 1.066, the final R = 0.0389 and wR = 0.1056 for 3739 observed reflections with I 〉 2σ（I）. The structural analysis indicates that the title compound is composed of Keggin clusters [PMo12O40]3- connected by one-dimensional [CB（DMPz）]2n^2n＋ chains to form a two-dimensional grid layer with holes occupied by monoprotonated DMPz molecules. In the solid of the title compound, the 2D grid layers are stacked together in an ABAB packing mode.
