The new manganese（Ⅱ） coordination compound, [Mn（Cl）2（L）2]（1, L = 11-fluorodipyrido[3,2-a:2?,3?-c]phenazine）, has been achieved under hydrothermal conditions. The structure of compound 1 was determined by sing...The new manganese（Ⅱ） coordination compound, [Mn（Cl）2（L）2]（1, L = 11-fluorodipyrido[3,2-a:2?,3?-c]phenazine）, has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crystal X-ray diffraction. 1 crystallizes in monoclinic system, space group C2/c with a = 8.419（2）, b = 12.286（2）, c = 28.451（6） ?, β = 95.889（3）°, V =2927.5（10） ?3, Z = 4, C36 H16 MnF2 Cl2 N8, Mr = 724.41, Dc = 1.644 g/cm3, F（000） = 1460, μ（Mo Ka）= 0.691 mm-1, R = 0.0445 and wR = 0.0982. Adjacent compounds are stacked by one type of π-πinteraction among L ligands to generate a 1D supramolecular chain. Further, the 1D supramolecular chains are stacked by another type of π-π interaction among L ligands to give a 2D supramolecular layer. Moreover, the C-F···π interactions between the carbon atom of the L ligand and the pyrazine ring of the adjacent L ligand further stabilize the supramolecular layer of 1. In addition, natural bond orbital（NBO） analysis has been calculated by the B3LYP/LANL2DZ method, which shows obvious covalent interaction between the coordinated atoms and Mn（Ⅱ） ion.展开更多
A new four-coordinated manganese compound Mn2（BPTC） （BPTC =- biphenyl- 2,4,4＇,6-tetracarboxylate） with flu topology net was synthesized under hydrothermal conditions. Single-crystal X-ray diffraction analysis con...A new four-coordinated manganese compound Mn2（BPTC） （BPTC =- biphenyl- 2,4,4＇,6-tetracarboxylate） with flu topology net was synthesized under hydrothermal conditions. Single-crystal X-ray diffraction analysis confirms its crystal belongs to the monoclinic system, space group C2/c with a = 12.2092（11）, b = 14.6932（9）, c = 8.9998（10） A, t= 108.256（12）°, Z= 4, V= 1533.2（2） A3, Dc = 1.889 mg/m3,μ = 1.69, F（O00） = 864, the final R = 0.063 and wR = 0.201 for 1407 observed reflections （I 〉 20（/））. UV-Vis absorption spectrum shows the title compound has a strong absorption at 326 and 238 nm and the optical diffuse reflectance determination shows the band gap of the title compound is 3.15 eV. The theory calculation elucidated that the UV absorptions of the title compound mainly arise from the electron transition from bonding orbitals of BPTC4- ligand to the empty orbitals of BPTC4- and Mn（II） ions.展开更多
0D dinuclear manganese(Ⅱ)coordination compound and 1D chain manganese(Ⅱ)coordination polymer,namely[Mn2(μ-L)(phen)4]·4H2O(1)and{[Mn2(μ5-L)(phen)2]·H2O}n(2),have been constructed hydrothermally using H4L(...0D dinuclear manganese(Ⅱ)coordination compound and 1D chain manganese(Ⅱ)coordination polymer,namely[Mn2(μ-L)(phen)4]·4H2O(1)and{[Mn2(μ5-L)(phen)2]·H2O}n(2),have been constructed hydrothermally using H4L(H4L=2,3,3΄,4΄-diphenyl ether tetracarboxylic acid),phen(phen=1,10-phenanthroline),and manganese chloride at 120 and 160°C,respectively.The products were isolated as stable crystalline solids and were characterized by IR spectra,elemental analyses,thermogravimetric analyses(TGA),and single-crystal X-ray diffraction analyses.Single-crystal X-ray diffraction analyses revealed that two compounds crystallize in the triclinic or monoclinic system,space group P1 or P21/c.Compound 1 discloses a discrete dimeric structure,which is assembled into a 3D supramolecular framework through O-H…O hydrogen bond.Compound 2 has a chain structure.Structural differences between compounds 1 and 2 are attributed to the different reaction temperature.Magnetic studies for compound 2 demonstrate an antiferromagnetic coupling between the adjacent Mn(Ⅱ)centers.展开更多
The coordination polymer of [Mn(m-CPOAH)2(H2O)2]n (m-CPOAH– = 3-carboxyl- phenoxyacetate) has been synthesized and characterized by elemental analyses, IR, TG and single- crystal X-ray diffraction. The title complex ...The coordination polymer of [Mn(m-CPOAH)2(H2O)2]n (m-CPOAH– = 3-carboxyl- phenoxyacetate) has been synthesized and characterized by elemental analyses, IR, TG and single- crystal X-ray diffraction. The title complex crystallizes in the triclinic system, space group P1 with a = 4.7013(9), b = 5.6822(11), c = 17.758(4) ?, α = 87.39(3), β = 85.39(3), γ = 85.76(3)o, V = 471.18(17) ?3, Z = 1, Mr = 481.26, Dc = 1.696 g/cm3, μ = 0.770 mm-1, F(000) = 247, R = 0.0385 and wR = 0.1015. The Mn(II) atom assumes a distorted octahedral geometry, involving four carboxyl oxygen atoms from different m-CPOAH– ligands and two coordinated water molecules. The Mn(II) atoms are linked by the m-CPOAH– ligand to form a one-dimensional chain structure along the a axis. The shortest Mn…Mn separation within the polymer is 7.401(4) ?. A three- dimensional supramolecular network is constructed by O–H…O hydrogen bonding interactions.展开更多
Three new cobalt（II） coordination compounds, [Co（3,3＇-Hbpt）2（H2pm）（H20）2]＇2H20 （1）, [Co（4,4＇-Hbpt）（pm）0.5（H20）]＇3H20 （2） and [Co（3,4＇-Hbpt）（pm）0.5（H20）3]＇2H20 （3） （3,3＇-Hbpt = 3,5-bis...Three new cobalt（II） coordination compounds, [Co（3,3＇-Hbpt）2（H2pm）（H20）2]＇2H20 （1）, [Co（4,4＇-Hbpt）（pm）0.5（H20）]＇3H20 （2） and [Co（3,4＇-Hbpt）（pm）0.5（H20）3]＇2H20 （3） （3,3＇-Hbpt = 3,5-bis（3-pyridyl）-lH-1,2,4-triazole; 4,4＇-bpt = 3,5-bis（4-pyridyl）- 1H-1,2,4-triazole, 3,4＇-Hbpt = 3-（3-pyridyl）-5-（4＇-pyridyl）-lH-1,2,4-triazole and Hapm = pyromellitic acid） have been synthe- sized by hydrothermal reactions. Single-crystal X-ray diffraction reveals that compound 1 has a one-dimensional （1D） chain network, 2 exhibits a four-connected three-dimensional （3D） structure with 1D open channels encapsulated by water molecules, while 3 displays a regular two-dimensional （2D） architecture connected through 1D metal helical chains. In addition, the effi- cacy of compounds 1-3 as additives to promote the thermal decomposition of ammonium perchlorate （AP） is explored by dif- ferential scanning calorimetry （DSC）.展开更多
基金Supported by the National Natural Science Foundation of China(No.21607051)the Science and Technology Research Projects of the Education Committee of Jilin Province(No.JJKH20180779KJ)
文摘The new manganese（Ⅱ） coordination compound, [Mn（Cl）2（L）2]（1, L = 11-fluorodipyrido[3,2-a:2?,3?-c]phenazine）, has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crystal X-ray diffraction. 1 crystallizes in monoclinic system, space group C2/c with a = 8.419（2）, b = 12.286（2）, c = 28.451（6） ?, β = 95.889（3）°, V =2927.5（10） ?3, Z = 4, C36 H16 MnF2 Cl2 N8, Mr = 724.41, Dc = 1.644 g/cm3, F（000） = 1460, μ（Mo Ka）= 0.691 mm-1, R = 0.0445 and wR = 0.0982. Adjacent compounds are stacked by one type of π-πinteraction among L ligands to generate a 1D supramolecular chain. Further, the 1D supramolecular chains are stacked by another type of π-π interaction among L ligands to give a 2D supramolecular layer. Moreover, the C-F···π interactions between the carbon atom of the L ligand and the pyrazine ring of the adjacent L ligand further stabilize the supramolecular layer of 1. In addition, natural bond orbital（NBO） analysis has been calculated by the B3LYP/LANL2DZ method, which shows obvious covalent interaction between the coordinated atoms and Mn（Ⅱ） ion.
基金supported by the Natural Science Foundation of Fujian Province(No.2014J01029)the National Natural Science Foundation of China(No.91122028)
文摘A new four-coordinated manganese compound Mn2（BPTC） （BPTC =- biphenyl- 2,4,4＇,6-tetracarboxylate） with flu topology net was synthesized under hydrothermal conditions. Single-crystal X-ray diffraction analysis confirms its crystal belongs to the monoclinic system, space group C2/c with a = 12.2092（11）, b = 14.6932（9）, c = 8.9998（10） A, t= 108.256（12）°, Z= 4, V= 1533.2（2） A3, Dc = 1.889 mg/m3,μ = 1.69, F（O00） = 864, the final R = 0.063 and wR = 0.201 for 1407 observed reflections （I 〉 20（/））. UV-Vis absorption spectrum shows the title compound has a strong absorption at 326 and 238 nm and the optical diffuse reflectance determination shows the band gap of the title compound is 3.15 eV. The theory calculation elucidated that the UV absorptions of the title compound mainly arise from the electron transition from bonding orbitals of BPTC4- ligand to the empty orbitals of BPTC4- and Mn（II） ions.
基金supported by Guangdong Province Higher Vocational Colleges&Schools Pearl River Scholar Funded Scheme(2015,2018)the Natural Science Foundation of Guangdong Province(No.2016A030313761)+3 种基金the Pearl River Scholar Foundation of Guangdong Industry Polytechnic(RC2015-001)the Opening Foundation of MOE Key Laboratory of MOE Key Laboratory of Bioinorganic and Synthetic Chemistry School of Chemistry Sun Yat-Sen University(2016)Innovation Team Project on University of Guangdong Province(2017GKCXTD001)Science and Technology Planning Project of Guangzhou(201904010381)the Science and Technology Plan of Qinghai Province(2018-ZJ-919)。
文摘0D dinuclear manganese(Ⅱ)coordination compound and 1D chain manganese(Ⅱ)coordination polymer,namely[Mn2(μ-L)(phen)4]·4H2O(1)and{[Mn2(μ5-L)(phen)2]·H2O}n(2),have been constructed hydrothermally using H4L(H4L=2,3,3΄,4΄-diphenyl ether tetracarboxylic acid),phen(phen=1,10-phenanthroline),and manganese chloride at 120 and 160°C,respectively.The products were isolated as stable crystalline solids and were characterized by IR spectra,elemental analyses,thermogravimetric analyses(TGA),and single-crystal X-ray diffraction analyses.Single-crystal X-ray diffraction analyses revealed that two compounds crystallize in the triclinic or monoclinic system,space group P1 or P21/c.Compound 1 discloses a discrete dimeric structure,which is assembled into a 3D supramolecular framework through O-H…O hydrogen bond.Compound 2 has a chain structure.Structural differences between compounds 1 and 2 are attributed to the different reaction temperature.Magnetic studies for compound 2 demonstrate an antiferromagnetic coupling between the adjacent Mn(Ⅱ)centers.
基金This work was supported by the National Natural Science Foundation of China (No. 20101003), and the Scientific Fund of Remarkable Teachers of Heilongjiang Province (No. 1054G036)
文摘The coordination polymer of [Mn(m-CPOAH)2(H2O)2]n (m-CPOAH– = 3-carboxyl- phenoxyacetate) has been synthesized and characterized by elemental analyses, IR, TG and single- crystal X-ray diffraction. The title complex crystallizes in the triclinic system, space group P1 with a = 4.7013(9), b = 5.6822(11), c = 17.758(4) ?, α = 87.39(3), β = 85.39(3), γ = 85.76(3)o, V = 471.18(17) ?3, Z = 1, Mr = 481.26, Dc = 1.696 g/cm3, μ = 0.770 mm-1, F(000) = 247, R = 0.0385 and wR = 0.1015. The Mn(II) atom assumes a distorted octahedral geometry, involving four carboxyl oxygen atoms from different m-CPOAH– ligands and two coordinated water molecules. The Mn(II) atoms are linked by the m-CPOAH– ligand to form a one-dimensional chain structure along the a axis. The shortest Mn…Mn separation within the polymer is 7.401(4) ?. A three- dimensional supramolecular network is constructed by O–H…O hydrogen bonding interactions.
基金supported by the National Natural Science Foundation of China(21073142,21173168and21127004)the Natural Science Foundation of Shaanxi Province(SJ08B09)the Natural Science Foundation of the Department of Education of Shaanxi Province(2010JK882,2010JQ2007and11JS110)
文摘Three new cobalt（II） coordination compounds, [Co（3,3＇-Hbpt）2（H2pm）（H20）2]＇2H20 （1）, [Co（4,4＇-Hbpt）（pm）0.5（H20）]＇3H20 （2） and [Co（3,4＇-Hbpt）（pm）0.5（H20）3]＇2H20 （3） （3,3＇-Hbpt = 3,5-bis（3-pyridyl）-lH-1,2,4-triazole; 4,4＇-bpt = 3,5-bis（4-pyridyl）- 1H-1,2,4-triazole, 3,4＇-Hbpt = 3-（3-pyridyl）-5-（4＇-pyridyl）-lH-1,2,4-triazole and Hapm = pyromellitic acid） have been synthe- sized by hydrothermal reactions. Single-crystal X-ray diffraction reveals that compound 1 has a one-dimensional （1D） chain network, 2 exhibits a four-connected three-dimensional （3D） structure with 1D open channels encapsulated by water molecules, while 3 displays a regular two-dimensional （2D） architecture connected through 1D metal helical chains. In addition, the effi- cacy of compounds 1-3 as additives to promote the thermal decomposition of ammonium perchlorate （AP） is explored by dif- ferential scanning calorimetry （DSC）.
