A novel binucleus mixed-ligand[Cd2(phen)4(bmal)2]·3H2O (phen=phenanthroline; bmal=benzylmalonic acid radical) has been synthesized by the reaction of phen and bmal with cadmium(Ⅱ) salt. X-ray crystal structure a...A novel binucleus mixed-ligand[Cd2(phen)4(bmal)2]·3H2O (phen=phenanthroline; bmal=benzylmalonic acid radical) has been synthesized by the reaction of phen and bmal with cadmium(Ⅱ) salt. X-ray crystal structure analysis was carried out to determine the crystal structure of the title complex. The crystal of the title complex belongs to monoclinic system with space group P21/c, a=1.119 1(8) nm, b=2.480 5(17) nm, c=1.063 4(8) nm, β=142.042(12)°, Z=4, V=2.887(3) nm3, Dc=1.613 g·cm-3, R1=0.046 2, wR2=0.115 6, F(000)=1 424. One carboxyl of bmal is coordinated to Cd(1) with monodentate form, the others are coordinated to Cd(2) with bidentate form. The complexes form a 1-D chain structure bridged by hydrogen bonds that formed by uncoordinated water and oxygen atom of carboxyl group in bmal, the 2-D network structure was formed by π-π interaction of neighbouring phen. CCDC: 257080.展开更多
The transition metal and alkaline earth metal tetranuclear complex Cu2Ca2L2(H2O)6·2H2O where H4L represents the Schiff base N-3-carboxylsalicylideneglycylglycine was prepared and its crystal structure was determi...The transition metal and alkaline earth metal tetranuclear complex Cu2Ca2L2(H2O)6·2H2O where H4L represents the Schiff base N-3-carboxylsalicylideneglycylglycine was prepared and its crystal structure was determined by the single-crystal X-ray diffraction method at room temperature. It crystallizes in the monoclinic system, space group C2/c. The lattice parameters are a=2.128 2(2) nm, b=1.231 73(14) nm, c=1.323 42(15) nm, β=93.619(2)°, Mr=939.81, Dc=1.803 Mg·m-3, F(000)=1 928, Z=4 with R1=0.046 6. Each copper atom is coordinated by two nitrogen atoms, one carboxylate oxygen atom and one phenolic oxygen atom, in a square-planner manner. And each calcium atom is coordinated by three water oxygen atoms, three carboxylate oxygen atoms and one phenolic oxygen atom in a distorted pentagonal bipyramid. Two pentagonal bipyramids are connected by two carboxyl groups. CCDC: 239969.展开更多
Complex [Tb(2-FC6H4COO)3·C10H8N2]2 was synthesized from TbCl3·nH2O,2-fluorobenzoic acid,and 2,2′-bipyridine(C10H8N2).The crystals are monoclinic with space group P21/n,and the crystal parameters are:a=1.21...Complex [Tb(2-FC6H4COO)3·C10H8N2]2 was synthesized from TbCl3·nH2O,2-fluorobenzoic acid,and 2,2′-bipyridine(C10H8N2).The crystals are monoclinic with space group P21/n,and the crystal parameters are:a=1.219 1（4） nm,b=1.777 4（6） nm,c=1.371 5（4） nm,β=111.400（5）,（M=）732.41,V=2.767（15） nm3,Z=4,Dcalc=1.758 g/cm3,T=293（2） K.The final R=0.030 2,（wR=）0.054 7.The two Tb3+ ions are linked together by four 2-fluorobenzoate groups in a bridging mode to form a dimeric unit.Each Tb3+ ion is also chelated by one 2-fluorobenzoate group and one 2,2′-bipy ligand,making a coordination number of eight.There are four emission peaks in the luminescence spectrum at 490,545,584,and 618 nm,corresponding to the transitions of the Tb3+ ion:5D4→7F6,5D4→7F5,5D4→7F4,and(5D4→)7F3,respectively.展开更多
The complex \ 2 Complex LI Xia *, JIN Qiong Hua (Department of Chemistry,Capital Normal University,Beijing 100037) Abstract The complex \[Nd(C 4 H 3 OCOO) 2 ·NO 3 ·C 10 H 8 N 2 \] 2 was synthesized from Nd(N...The complex \ 2 Complex LI Xia *, JIN Qiong Hua (Department of Chemistry,Capital Normal University,Beijing 100037) Abstract The complex \[Nd(C 4 H 3 OCOO) 2 ·NO 3 ·C 10 H 8 N 2 \] 2 was synthesized from Nd(NO 3 ) 3 · n H 2 O, 2 furancarboxylic acid(C 4 H 3 OCOOH), and 2,2′ bipyridine(C 10 H 8 N 2 ). The unit cell is triclinic and of Pī symmetry. Unit cell parameters are:Pī, a =0 992 18(17) nm, b =1 023 05(17) nm, c = 1 114 4(3) nm , α =86 778(8)°, β =76 153(5)°, γ =70 363(14)°, M =584 58, V = 1 037 3(4) nm 3 , Z =1 , D calc = 1 877 Mg/m 3 , T =293(2) K. The final R =0 061 8, w R =0 164 4. Each Nd 3+ ion is coordinated by five O atoms of four furancarboxylate groups, two O atoms of nitrate and two N atoms of 2,2′ bipyridine molecule, with a coordination number of 9. The four carboxylate groups coordinate in two modes:bridging and bridging chelating . The two Nd 3+ ions in the dimer are held together by four carboxylate groups of furancarboxylic acid.展开更多
A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in...A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in detail.Xray diffraction analysis shows that complex 1 belongs to the monoclinic crystal system and its space group is P2_1/n,which contains a rhombic Dy_(4)core.Magnetic measurements of 1 suggest it possesses extraordinary single-molecule magnet(SMM)behavior.Its energy barrier U_(eff)/k_(B)was 116.7 K,and the pre-exponential coefficient τ_(0)=1.05×10~(-8)s.CCDC:2359322.展开更多
A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]py...A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713.展开更多
Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfull...Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.展开更多
文摘A novel binucleus mixed-ligand[Cd2(phen)4(bmal)2]·3H2O (phen=phenanthroline; bmal=benzylmalonic acid radical) has been synthesized by the reaction of phen and bmal with cadmium(Ⅱ) salt. X-ray crystal structure analysis was carried out to determine the crystal structure of the title complex. The crystal of the title complex belongs to monoclinic system with space group P21/c, a=1.119 1(8) nm, b=2.480 5(17) nm, c=1.063 4(8) nm, β=142.042(12)°, Z=4, V=2.887(3) nm3, Dc=1.613 g·cm-3, R1=0.046 2, wR2=0.115 6, F(000)=1 424. One carboxyl of bmal is coordinated to Cd(1) with monodentate form, the others are coordinated to Cd(2) with bidentate form. The complexes form a 1-D chain structure bridged by hydrogen bonds that formed by uncoordinated water and oxygen atom of carboxyl group in bmal, the 2-D network structure was formed by π-π interaction of neighbouring phen. CCDC: 257080.
文摘The transition metal and alkaline earth metal tetranuclear complex Cu2Ca2L2(H2O)6·2H2O where H4L represents the Schiff base N-3-carboxylsalicylideneglycylglycine was prepared and its crystal structure was determined by the single-crystal X-ray diffraction method at room temperature. It crystallizes in the monoclinic system, space group C2/c. The lattice parameters are a=2.128 2(2) nm, b=1.231 73(14) nm, c=1.323 42(15) nm, β=93.619(2)°, Mr=939.81, Dc=1.803 Mg·m-3, F(000)=1 928, Z=4 with R1=0.046 6. Each copper atom is coordinated by two nitrogen atoms, one carboxylate oxygen atom and one phenolic oxygen atom, in a square-planner manner. And each calcium atom is coordinated by three water oxygen atoms, three carboxylate oxygen atoms and one phenolic oxygen atom in a distorted pentagonal bipyramid. Two pentagonal bipyramids are connected by two carboxyl groups. CCDC: 239969.
文摘Complex [Tb(2-FC6H4COO)3·C10H8N2]2 was synthesized from TbCl3·nH2O,2-fluorobenzoic acid,and 2,2′-bipyridine(C10H8N2).The crystals are monoclinic with space group P21/n,and the crystal parameters are:a=1.219 1（4） nm,b=1.777 4（6） nm,c=1.371 5（4） nm,β=111.400（5）,（M=）732.41,V=2.767（15） nm3,Z=4,Dcalc=1.758 g/cm3,T=293（2） K.The final R=0.030 2,（wR=）0.054 7.The two Tb3+ ions are linked together by four 2-fluorobenzoate groups in a bridging mode to form a dimeric unit.Each Tb3+ ion is also chelated by one 2-fluorobenzoate group and one 2,2′-bipy ligand,making a coordination number of eight.There are four emission peaks in the luminescence spectrum at 490,545,584,and 618 nm,corresponding to the transitions of the Tb3+ ion:5D4→7F6,5D4→7F5,5D4→7F4,and(5D4→)7F3,respectively.
文摘The complex \ 2 Complex LI Xia *, JIN Qiong Hua (Department of Chemistry,Capital Normal University,Beijing 100037) Abstract The complex \[Nd(C 4 H 3 OCOO) 2 ·NO 3 ·C 10 H 8 N 2 \] 2 was synthesized from Nd(NO 3 ) 3 · n H 2 O, 2 furancarboxylic acid(C 4 H 3 OCOOH), and 2,2′ bipyridine(C 10 H 8 N 2 ). The unit cell is triclinic and of Pī symmetry. Unit cell parameters are:Pī, a =0 992 18(17) nm, b =1 023 05(17) nm, c = 1 114 4(3) nm , α =86 778(8)°, β =76 153(5)°, γ =70 363(14)°, M =584 58, V = 1 037 3(4) nm 3 , Z =1 , D calc = 1 877 Mg/m 3 , T =293(2) K. The final R =0 061 8, w R =0 164 4. Each Nd 3+ ion is coordinated by five O atoms of four furancarboxylate groups, two O atoms of nitrate and two N atoms of 2,2′ bipyridine molecule, with a coordination number of 9. The four carboxylate groups coordinate in two modes:bridging and bridging chelating . The two Nd 3+ ions in the dimer are held together by four carboxylate groups of furancarboxylic acid.
文摘A tetranuclear Ln(Ⅲ)-based complex:[Dy_(4)(dbm)_(4)(L)_(6)(μ_(3)-OH)_(2)]·CH_(3)CN(1)(HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol,Hdbm=dibenzoylmethane)was manufactured and its structure was characterized in detail.Xray diffraction analysis shows that complex 1 belongs to the monoclinic crystal system and its space group is P2_1/n,which contains a rhombic Dy_(4)core.Magnetic measurements of 1 suggest it possesses extraordinary single-molecule magnet(SMM)behavior.Its energy barrier U_(eff)/k_(B)was 116.7 K,and the pre-exponential coefficient τ_(0)=1.05×10~(-8)s.CCDC:2359322.
文摘A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713.
文摘Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2.
