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
Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmeth...Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.展开更多
new coordination polymer {[Zn(CF3COO)2(C5H5ON)]·H2O}n was synthesized based on the reaction of zinc(Ⅱ) trifluoroacetate and 3-hydroxypyridine(C5H5ON) in methanol medium for the first time. The structure of the c...new coordination polymer {[Zn(CF3COO)2(C5H5ON)]·H2O}n was synthesized based on the reaction of zinc(Ⅱ) trifluoroacetate and 3-hydroxypyridine(C5H5ON) in methanol medium for the first time. The structure of the coordination polymer was confirmed by IR, 1H NMR, elemental analysis and thermal analysis. The crystal structure of the coordination polymer was also determined by X-ray single crystal diffraction. The crystal belongs to monoclinic system with space group P21/m, and crystallographic data of the coordination polymer are: a= 0.863 1(4) nm, b=0.717 7(3) nm, c=1.116 4(5) nm, α=γ=90°, β=107.542(6)°, V=0.659 4(5) nm3; Dc=2.037 g·cm-3; Z=2; F(000)=400; μ=1.969 mm-1. Zinc(Ⅱ) atom lies at the center of an octahedron formed by the coordination of zinc atom and six O atoms which come from four different trifluoroacetate ions and two different 3-hydroxypyridine molecules where each trifluoroacetate ion and 3-hydroxypyridine are coordinated to two different zinc ions to form coordination polymer. CCDC: 253909.展开更多
Two novel Cd(Ⅱ) coordination polymers, [Cd 2(C 10H 2O 8)\5(H 2O) 6] n (1) and [Cd 4(C 6H 4O 2N) 8(H 2O) 4] n (2) (C 10H 2O 8=1,2,4,5-benzenetetracarboxyl and C 6H 4O 2N=nicotinato), were hydrothermally synthesized an...Two novel Cd(Ⅱ) coordination polymers, [Cd 2(C 10H 2O 8)\5(H 2O) 6] n (1) and [Cd 4(C 6H 4O 2N) 8(H 2O) 4] n (2) (C 10H 2O 8=1,2,4,5-benzenetetracarboxyl and C 6H 4O 2N=nicotinato), were hydrothermally synthesized and characterized by X-ray diffraction of the single-crystal and fluorescence spectra. Complex 1 crystallizes in triclinic system, space group P1 with a=0.559 62(7) nm, b=0.777 58(6) nm, c=0.969 75(10) nm, α=111.981(5)°, β=101.649(6)°, γ=98.240(5)°, and Z=1. Final R=0.024 8(wR=0.078 5). Complex 2 belongs to orthorhombic system, space group Pbca with unit cell dimensions a=1.144 94(19) nm, b=1.209 69(6) nm, c=1.740 73(8) nm and Z=8. Final R=0.018 5(wR=0.034 8). Both the two complexes are coordination polymers with a two-dimensional infinite structure, the repeat unit is [Cd 2(C 10H 2O 8)(H 2O) 6] (1) and [Cd 4(C 6H 4O 2N) 8(H 2O) 4] (2) which are bridged by the ligands of 1,2,4,5-benzenetetracarboxyl(C 10H 2O 8) and nicotinato(NA), respectively. The two polymers show strong fluorescence with λ em=433 nm(λ ex=333 nm, 1) and λ em=423 nm(λ ex=330 nm, 2) in the solid state at room temperature. The emissions observed in the polymers are tentatively assigned to the ligands fluorescence(LLCT).展开更多
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.
文摘Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.
文摘new coordination polymer {[Zn(CF3COO)2(C5H5ON)]·H2O}n was synthesized based on the reaction of zinc(Ⅱ) trifluoroacetate and 3-hydroxypyridine(C5H5ON) in methanol medium for the first time. The structure of the coordination polymer was confirmed by IR, 1H NMR, elemental analysis and thermal analysis. The crystal structure of the coordination polymer was also determined by X-ray single crystal diffraction. The crystal belongs to monoclinic system with space group P21/m, and crystallographic data of the coordination polymer are: a= 0.863 1(4) nm, b=0.717 7(3) nm, c=1.116 4(5) nm, α=γ=90°, β=107.542(6)°, V=0.659 4(5) nm3; Dc=2.037 g·cm-3; Z=2; F(000)=400; μ=1.969 mm-1. Zinc(Ⅱ) atom lies at the center of an octahedron formed by the coordination of zinc atom and six O atoms which come from four different trifluoroacetate ions and two different 3-hydroxypyridine molecules where each trifluoroacetate ion and 3-hydroxypyridine are coordinated to two different zinc ions to form coordination polymer. CCDC: 253909.
文摘Two novel Cd(Ⅱ) coordination polymers, [Cd 2(C 10H 2O 8)\5(H 2O) 6] n (1) and [Cd 4(C 6H 4O 2N) 8(H 2O) 4] n (2) (C 10H 2O 8=1,2,4,5-benzenetetracarboxyl and C 6H 4O 2N=nicotinato), were hydrothermally synthesized and characterized by X-ray diffraction of the single-crystal and fluorescence spectra. Complex 1 crystallizes in triclinic system, space group P1 with a=0.559 62(7) nm, b=0.777 58(6) nm, c=0.969 75(10) nm, α=111.981(5)°, β=101.649(6)°, γ=98.240(5)°, and Z=1. Final R=0.024 8(wR=0.078 5). Complex 2 belongs to orthorhombic system, space group Pbca with unit cell dimensions a=1.144 94(19) nm, b=1.209 69(6) nm, c=1.740 73(8) nm and Z=8. Final R=0.018 5(wR=0.034 8). Both the two complexes are coordination polymers with a two-dimensional infinite structure, the repeat unit is [Cd 2(C 10H 2O 8)(H 2O) 6] (1) and [Cd 4(C 6H 4O 2N) 8(H 2O) 4] (2) which are bridged by the ligands of 1,2,4,5-benzenetetracarboxyl(C 10H 2O 8) and nicotinato(NA), respectively. The two polymers show strong fluorescence with λ em=433 nm(λ ex=333 nm, 1) and λ em=423 nm(λ ex=330 nm, 2) in the solid state at room temperature. The emissions observed in the polymers are tentatively assigned to the ligands fluorescence(LLCT).
