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
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
The title complex {[Ni(TCB)2/2(Him)2(H2O)2]· 6H2O}n(where TCB = 1,2,4,5 benzentetracarboxylic anion, Him=imidazole) has been synthesized in aqueous solution. The <IMG SRC="IMAGE/12180050.JPG" HEIGHT=...The title complex {[Ni(TCB)2/2(Him)2(H2O)2]· 6H2O}n(where TCB = 1,2,4,5 benzentetracarboxylic anion, Him=imidazole) has been synthesized in aqueous solution. The <IMG SRC="IMAGE/12180050.JPG" HEIGHT=11 WIDTH=12>crystal structure has been determined by single crystal X ray diffraction method. It crystallizes in the triclinic system, space group (# 2) with a=1.0661(4)nm,b=1.1175(3)nm,c=1.0062(4)nm,α =94.03(3)° ,β = 110.81(3)° ,γ =114.71(2)° ,V=0.9837(7)nm3,Z=1,F(000)=478,DC=1.553g· cm- 3,F.W.=920.11,u=10.41cm- 1,R=0.040,RW=0.051.In this compound, one of the nickel atom is coordinated by two oxygen atoms from TCB, two oxygen atoms from two water molecules and two nitrogen atoms from two imidazole molecules in a trans fashion to complete an octahedron; whereas the other is ligated by four nitrogen atoms from four imidazole molecules to form a planar square geometry.展开更多
A coordination polymer,namely [Fe(DPPZ)(dipic)]n(1)(DPPZ =dipyrido [3,2-a:2',3'-c]phenazine and H2dipic=pyridine-2,6-dicarboxylic acid),has been obtained by using hydrothermal synthesis method.The crystal stru...A coordination polymer,namely [Fe(DPPZ)(dipic)]n(1)(DPPZ =dipyrido [3,2-a:2',3'-c]phenazine and H2dipic=pyridine-2,6-dicarboxylic acid),has been obtained by using hydrothermal synthesis method.The crystal structure was determined by X-ray single crystal structure analysis with the following data:Monoclinic,P21/c,a= 0.794 95(16) nm,b=3.601 1(7) nm,c=0.734 32(15) nm,β=106.07(3)°,V=2.020 0(7) nm3,Z=4,Mr=503.25,Dc=1.655 g·cm-3,F(000)=1 024,μ(Mo Kα)=0.795 mm-1,R=0.038 5 and wR=0.081 0.Complex 1 has octahedral coordination geometry and forms 1D zigzag coordination chains that organize into an unusual 3D supramolecular motif through noncovalent bonds,such as π-π stacking interactions and C-H … O hydrogen bonds.The result of TG analysis indicates that the title complex is stable till 290 ℃.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).
文摘The title complex {[Ni(TCB)2/2(Him)2(H2O)2]· 6H2O}n(where TCB = 1,2,4,5 benzentetracarboxylic anion, Him=imidazole) has been synthesized in aqueous solution. The <IMG SRC="IMAGE/12180050.JPG" HEIGHT=11 WIDTH=12>crystal structure has been determined by single crystal X ray diffraction method. It crystallizes in the triclinic system, space group (# 2) with a=1.0661(4)nm,b=1.1175(3)nm,c=1.0062(4)nm,α =94.03(3)° ,β = 110.81(3)° ,γ =114.71(2)° ,V=0.9837(7)nm3,Z=1,F(000)=478,DC=1.553g· cm- 3,F.W.=920.11,u=10.41cm- 1,R=0.040,RW=0.051.In this compound, one of the nickel atom is coordinated by two oxygen atoms from TCB, two oxygen atoms from two water molecules and two nitrogen atoms from two imidazole molecules in a trans fashion to complete an octahedron; whereas the other is ligated by four nitrogen atoms from four imidazole molecules to form a planar square geometry.
文摘A coordination polymer,namely [Fe(DPPZ)(dipic)]n(1)(DPPZ =dipyrido [3,2-a:2',3'-c]phenazine and H2dipic=pyridine-2,6-dicarboxylic acid),has been obtained by using hydrothermal synthesis method.The crystal structure was determined by X-ray single crystal structure analysis with the following data:Monoclinic,P21/c,a= 0.794 95(16) nm,b=3.601 1(7) nm,c=0.734 32(15) nm,β=106.07(3)°,V=2.020 0(7) nm3,Z=4,Mr=503.25,Dc=1.655 g·cm-3,F(000)=1 024,μ(Mo Kα)=0.795 mm-1,R=0.038 5 and wR=0.081 0.Complex 1 has octahedral coordination geometry and forms 1D zigzag coordination chains that organize into an unusual 3D supramolecular motif through noncovalent bonds,such as π-π stacking interactions and C-H … O hydrogen bonds.The result of TG analysis indicates that the title complex is stable till 290 ℃.
