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
In this paper,the synthesis and measurement of X-ray crystal structures ofCd￡¨C ￡μH￡μ N￡(c) ￡2￡¨S￡2CO￡-n￡-C￡′H￡1￡(c)￡2andCd￡¨S￡2CO￡-n￡-C￡′H￡1￡(c)2n were reported￡(r)The reaction...In this paper,the synthesis and measurement of X-ray crystal structures ofCd￡¨C ￡μH￡μ N￡(c) ￡2￡¨S￡2CO￡-n￡-C￡′H￡1￡(c)￡2andCd￡¨S￡2CO￡-n￡-C￡′H￡1￡(c)2n were reported￡(r)The reaction ofCd￡¨S ￡2 CO￡-n￡-C ￡′ H ￡1 ￡(c) 2 n with pyridine destroyed the original polymeric structure to and yielded t he bis￡-￡¨lewis bases￡(c)adduct￡(r)The crystals belong to monoclinic system,space group P￡2￡¨￡±￡(c)￡ˉc￡(r)The cell dimensions ofCd￡¨C ￡μ H￡μN￡(c)2(S2CO-n-C4H￡1￡(c)￡2re a￡1/2￡±￡(r)￡±￡°￡1￡′￡¨￡±￡2￡(c)￡?b￡1/2￡°￡(r)￡?￡±￡μ￡2￡¨￡?￡(c)￡?c￡1/2￡±￡(r)7985(1￡1￡(c)nm￡?|?￡1/2￡1￡?￡(r)￡±￡′￡?￡¨￡2￡(c)??￡?V￡1/2￡±￡(r)￡2￡2￡°￡′￡¨￡2￡(c)nm￡3 ￡(r)The structure was refined to R￡± ￡1/2￡°￡(r)￡°￡2￡′￡?and w R ￡2 ￡1/20?r)￡°￡?￡′￡μ￡(r)The complex has a centro-sym metric molecule structure￡(r)The cell dimensions of Cd￡¨S￡2CO￡-n￡-C ￡′ H ￡1 ￡(c) 2 n are a￡1/2￡2￡(r)￡μ￡?￡′￡1￡¨￡′￡(c)￡?b￡1/2￡°￡(r)￡μ￡?￡±￡°￡¨￡*￡(c)￡?c￡1/2￡±￡(r)￡±￡3￡′￡?￡¨￡′￡±￡(c)nm￡?|?￡1/2￡±￡°￡±￡(r)￡*￡°￡±￡¨￡2￡(c)??￡?V￡1/2￡±￡(r)6566(3￡(c)nm￡3 ￡(r)The structure was refined to R￡± ￡1/2￡°￡(r)0711and w R￡2￡1/2￡°￡(r)￡±￡*￡μ￡μ￡(r)展开更多
Copper(Ⅱ) complexes Cu(C6H6N2)2(ClO4)2 (1) and Cu2(OAc)4(C5H5ClN2)2 (2) with amino pyridine derivatives ligands have been synthesized and characterized by elemental analysis and IR spectrum. Their crystal structures ...Copper(Ⅱ) complexes Cu(C6H6N2)2(ClO4)2 (1) and Cu2(OAc)4(C5H5ClN2)2 (2) with amino pyridine derivatives ligands have been synthesized and characterized by elemental analysis and IR spectrum. Their crystal structures are determined by X ray diffraction method. Compound 1, C12H16Cl2CuN4O8, Mr=478.73, triclinic, space <IMG SRC="IMAGE/04170000.JPG" HEIGHT=14 WIDTH=16>group , a=0.7641(1)nm, b=0.7987(1)nm, c=0.7990(1)nm, α =106.78(1)° ,β =95.71(1)° , γ =108.85(1)° , V=0.4317(1)nm3, Z=1, Dc=1.841g· cm- 3, μ =1.627mm- 1, F(000) =243,R1=0.0264, ω R2=0.0641 (I >2σ (I)). In 1, the center metal ion Cu? possesses distorted octahedral geometry. Compound 2, C18H22C12Cu2N4O8, Mr=620.38,monoclinic, space group C2/c, a=1.9888(3), b=0.9158(1), c=1.4241(2)nm, β =115.89(1)° , V=2.3336(5)nm3, Z=4, Dc=1.766mg· cm- 3, μ =2.104mm- 1, F(000)=1256, R1=0.0263, wR2=0.0676 (I >2σ (I)). Compound 2 is dinuclear structure, in which each Cu? adopts five coordinated distorted square pyramid geometry. CCDC: 193109; 193110.展开更多
The complex {[Cd2(C9H8O3N)2(CH3COO)2(4,4'-bipy)2]·(4,4'-bipy)·(H2O)4}n with 4-acetamidobenzoic acid and 4,4'-bipyridine has been synthesized with liquid diffusion method and characterized. It cry...The complex {[Cd2(C9H8O3N)2(CH3COO)2(4,4'-bipy)2]·(4,4'-bipy)·(H2O)4}n with 4-acetamidobenzoic acid and 4,4'-bipyridine has been synthesized with liquid diffusion method and characterized. It crystallizes in the monoclinic space group C2/c. The crystal structure shows that two neighboring cadmium(Ⅱ) ions are linked together by two bridging acetic acid radicals,forming a binuclear structure. Adjacent binnuclear structure is linked together by two bridging 4,4'-bipy molecules and the complex molecule forms an one-dimensional doublechain structure. The luminescent properties of the complex were studied.展开更多
The study of carboxyl complexes has drawn great interests,mainly because of their intriguing variety of architectures and topologies as well as potential applications in many fields,such as functional materials,bioche...The study of carboxyl complexes has drawn great interests,mainly because of their intriguing variety of architectures and topologies as well as potential applications in many fields,such as functional materials,biochemistry,medicine,and so展开更多
The crystal structure of the title complex, [K2(5-nbdc)2Cd(Ⅱ)·imH·H2O]∞ (5-nbdc=5-nitro-1,3-benzenedicarbonate, imH=imidazole) has been determined by X-ray diffraction analysis. The crystal data are: tetra...The crystal structure of the title complex, [K2(5-nbdc)2Cd(Ⅱ)·imH·H2O]∞ (5-nbdc=5-nitro-1,3-benzenedicarbonate, imH=imidazole) has been determined by X-ray diffraction analysis. The crystal data are: tetragonal, space group P41, Mr=694.93 for CdC19H12N4O13K2, a=1.018 6(10) nm, b=1.018 6(10) nm, c=2.436 7(5) nm; Z=4, V=2.528 2(6) nm3, F(000)=1 376, Dc=1.826 Mg·m-3, μ=1.267 mm-1. The title polymeric complex exhibits a two-dimensional framework, in which adjacent Cd(Ⅱ) ions are bridged by μ-O4-5-nitro-1,3-benzenedicarbonate groups forming one-dimensional chains that are further linked by μ-O3-5-nitro-1,3-benzenedicarbonate groups into two-dimensional anion rectangle sheets with large 32-membered rings. The strong π-π stacks of the benzene rings link these adjacent sheets into a three-dimensional van der Waals network. CCDC: 245527.展开更多
A new 1D chain coordination polymer [Cd(dpq)(ox)0.5Cl]n (1) (dpq=dipyrido[3,2-d:2′,3′-f]quinoxaline and ox=oxalate) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR and si...A new 1D chain coordination polymer [Cd(dpq)(ox)0.5Cl]n (1) (dpq=dipyrido[3,2-d:2′,3′-f]quinoxaline and ox=oxalate) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR and single crystal X-ray diffraction analysis. Compound 1 (CdClC15H8N4O2): monoclinic, space group P21/c, a=0.854 04(5) nm, b=2.094 90(13) nm, c=0.839 22(5) nm, Z=4, V=1.438(15) nm3, Mr=424.11, Dc=1.959 g·cm-3, F(000)=828.0, μ= 1.719 mm-1, S=1.028, the final R=0.025 8 and wR=0.057 5. The crystal structure analysis indicates that the cadmium ion is coordinated by two oxygen atoms from a oxalate, two chelating nitrogen atoms from a dpq molecule and two Cl-anions. The adjacent Cd(Ⅱ) ions are linked by Cl-anions and oxalate ligands in alternate sequence to form a 1D chain coordination polymer and the adjacent chains are further connected by π-π stacking interactions to form a 2D supramolecular network. Moreover, the title compound exhibits blue emission in the solid state at room temperature.展开更多
The two title complexes,[Cd2(phen)2(succ)(H2O)2](NO3-)2 ·3H2O(1)and [Cd2(phen)2(glut)2][Cd2(phen)2(Cl-)2] 2NO3-·14H2O(2)(succ =succinic acid,glut =glutaric acid,phen=1,10-phenanthroline)have been synthesized...The two title complexes,[Cd2(phen)2(succ)(H2O)2](NO3-)2 ·3H2O(1)and [Cd2(phen)2(glut)2][Cd2(phen)2(Cl-)2] 2NO3-·14H2O(2)(succ =succinic acid,glut =glutaric acid,phen=1,10-phenanthroline)have been synthesized at room temperature,and characterized by elemental analysis,IR spectrum and X-ray crystal diffraction.The results show that the complex 1 belongs to monoclinic system with space group P2(1)/c and cell parameter: a=15.373(5),b=13.786(4),c=25.434(7),β=104.582(6)°,V=5217(3)3,Z=4,,Dc=1.624g/cm3,μ(MoKα)=0.895mm-1,F(000)=2576,R1=0.0699,wR2=0.1280.And complex 2 belongs to triclinic system,space group Pī,cell parameter: a=14.131(4),b=14.546(4),c=15.392(5),β=93.731(6),V=2674.93,Z=2,Dc=1.613 g/cm3,μ(MoKα)=0.921 mm-1,F(000)=1316,R1=0.0746,wR2=0.121.Complex 2 has two independent structure and Cd(Ⅱ) is rare seven-coordinated mode.The two complexes formed 2D molecular architectures by hydrogen-bonding and π-π stacking interactions.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In this paper,the synthesis and measurement of X-ray crystal structures ofCd￡¨C ￡μH￡μ N￡(c) ￡2￡¨S￡2CO￡-n￡-C￡′H￡1￡(c)￡2andCd￡¨S￡2CO￡-n￡-C￡′H￡1￡(c)2n were reported￡(r)The reaction ofCd￡¨S ￡2 CO￡-n￡-C ￡′ H ￡1 ￡(c) 2 n with pyridine destroyed the original polymeric structure to and yielded t he bis￡-￡¨lewis bases￡(c)adduct￡(r)The crystals belong to monoclinic system,space group P￡2￡¨￡±￡(c)￡ˉc￡(r)The cell dimensions ofCd￡¨C ￡μ H￡μN￡(c)2(S2CO-n-C4H￡1￡(c)￡2re a￡1/2￡±￡(r)￡±￡°￡1￡′￡¨￡±￡2￡(c)￡?b￡1/2￡°￡(r)￡?￡±￡μ￡2￡¨￡?￡(c)￡?c￡1/2￡±￡(r)7985(1￡1￡(c)nm￡?|?￡1/2￡1￡?￡(r)￡±￡′￡?￡¨￡2￡(c)??￡?V￡1/2￡±￡(r)￡2￡2￡°￡′￡¨￡2￡(c)nm￡3 ￡(r)The structure was refined to R￡± ￡1/2￡°￡(r)￡°￡2￡′￡?and w R ￡2 ￡1/20?r)￡°￡?￡′￡μ￡(r)The complex has a centro-sym metric molecule structure￡(r)The cell dimensions of Cd￡¨S￡2CO￡-n￡-C ￡′ H ￡1 ￡(c) 2 n are a￡1/2￡2￡(r)￡μ￡?￡′￡1￡¨￡′￡(c)￡?b￡1/2￡°￡(r)￡μ￡?￡±￡°￡¨￡*￡(c)￡?c￡1/2￡±￡(r)￡±￡3￡′￡?￡¨￡′￡±￡(c)nm￡?|?￡1/2￡±￡°￡±￡(r)￡*￡°￡±￡¨￡2￡(c)??￡?V￡1/2￡±￡(r)6566(3￡(c)nm￡3 ￡(r)The structure was refined to R￡± ￡1/2￡°￡(r)0711and w R￡2￡1/2￡°￡(r)￡±￡*￡μ￡μ￡(r)
文摘Copper(Ⅱ) complexes Cu(C6H6N2)2(ClO4)2 (1) and Cu2(OAc)4(C5H5ClN2)2 (2) with amino pyridine derivatives ligands have been synthesized and characterized by elemental analysis and IR spectrum. Their crystal structures are determined by X ray diffraction method. Compound 1, C12H16Cl2CuN4O8, Mr=478.73, triclinic, space <IMG SRC="IMAGE/04170000.JPG" HEIGHT=14 WIDTH=16>group , a=0.7641(1)nm, b=0.7987(1)nm, c=0.7990(1)nm, α =106.78(1)° ,β =95.71(1)° , γ =108.85(1)° , V=0.4317(1)nm3, Z=1, Dc=1.841g· cm- 3, μ =1.627mm- 1, F(000) =243,R1=0.0264, ω R2=0.0641 (I >2σ (I)). In 1, the center metal ion Cu? possesses distorted octahedral geometry. Compound 2, C18H22C12Cu2N4O8, Mr=620.38,monoclinic, space group C2/c, a=1.9888(3), b=0.9158(1), c=1.4241(2)nm, β =115.89(1)° , V=2.3336(5)nm3, Z=4, Dc=1.766mg· cm- 3, μ =2.104mm- 1, F(000)=1256, R1=0.0263, wR2=0.0676 (I >2σ (I)). Compound 2 is dinuclear structure, in which each Cu? adopts five coordinated distorted square pyramid geometry. CCDC: 193109; 193110.
文摘The complex {[Cd2(C9H8O3N)2(CH3COO)2(4,4'-bipy)2]·(4,4'-bipy)·(H2O)4}n with 4-acetamidobenzoic acid and 4,4'-bipyridine has been synthesized with liquid diffusion method and characterized. It crystallizes in the monoclinic space group C2/c. The crystal structure shows that two neighboring cadmium(Ⅱ) ions are linked together by two bridging acetic acid radicals,forming a binuclear structure. Adjacent binnuclear structure is linked together by two bridging 4,4'-bipy molecules and the complex molecule forms an one-dimensional doublechain structure. The luminescent properties of the complex were studied.
文摘The study of carboxyl complexes has drawn great interests,mainly because of their intriguing variety of architectures and topologies as well as potential applications in many fields,such as functional materials,biochemistry,medicine,and so
文摘The crystal structure of the title complex, [K2(5-nbdc)2Cd(Ⅱ)·imH·H2O]∞ (5-nbdc=5-nitro-1,3-benzenedicarbonate, imH=imidazole) has been determined by X-ray diffraction analysis. The crystal data are: tetragonal, space group P41, Mr=694.93 for CdC19H12N4O13K2, a=1.018 6(10) nm, b=1.018 6(10) nm, c=2.436 7(5) nm; Z=4, V=2.528 2(6) nm3, F(000)=1 376, Dc=1.826 Mg·m-3, μ=1.267 mm-1. The title polymeric complex exhibits a two-dimensional framework, in which adjacent Cd(Ⅱ) ions are bridged by μ-O4-5-nitro-1,3-benzenedicarbonate groups forming one-dimensional chains that are further linked by μ-O3-5-nitro-1,3-benzenedicarbonate groups into two-dimensional anion rectangle sheets with large 32-membered rings. The strong π-π stacks of the benzene rings link these adjacent sheets into a three-dimensional van der Waals network. CCDC: 245527.
文摘A new 1D chain coordination polymer [Cd(dpq)(ox)0.5Cl]n (1) (dpq=dipyrido[3,2-d:2′,3′-f]quinoxaline and ox=oxalate) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR and single crystal X-ray diffraction analysis. Compound 1 (CdClC15H8N4O2): monoclinic, space group P21/c, a=0.854 04(5) nm, b=2.094 90(13) nm, c=0.839 22(5) nm, Z=4, V=1.438(15) nm3, Mr=424.11, Dc=1.959 g·cm-3, F(000)=828.0, μ= 1.719 mm-1, S=1.028, the final R=0.025 8 and wR=0.057 5. The crystal structure analysis indicates that the cadmium ion is coordinated by two oxygen atoms from a oxalate, two chelating nitrogen atoms from a dpq molecule and two Cl-anions. The adjacent Cd(Ⅱ) ions are linked by Cl-anions and oxalate ligands in alternate sequence to form a 1D chain coordination polymer and the adjacent chains are further connected by π-π stacking interactions to form a 2D supramolecular network. Moreover, the title compound exhibits blue emission in the solid state at room temperature.
文摘The two title complexes,[Cd2(phen)2(succ)(H2O)2](NO3-)2 ·3H2O(1)and [Cd2(phen)2(glut)2][Cd2(phen)2(Cl-)2] 2NO3-·14H2O(2)(succ =succinic acid,glut =glutaric acid,phen=1,10-phenanthroline)have been synthesized at room temperature,and characterized by elemental analysis,IR spectrum and X-ray crystal diffraction.The results show that the complex 1 belongs to monoclinic system with space group P2(1)/c and cell parameter: a=15.373(5),b=13.786(4),c=25.434(7),β=104.582(6)°,V=5217(3)3,Z=4,,Dc=1.624g/cm3,μ(MoKα)=0.895mm-1,F(000)=2576,R1=0.0699,wR2=0.1280.And complex 2 belongs to triclinic system,space group Pī,cell parameter: a=14.131(4),b=14.546(4),c=15.392(5),β=93.731(6),V=2674.93,Z=2,Dc=1.613 g/cm3,μ(MoKα)=0.921 mm-1,F(000)=1316,R1=0.0746,wR2=0.121.Complex 2 has two independent structure and Cd(Ⅱ) is rare seven-coordinated mode.The two complexes formed 2D molecular architectures by hydrogen-bonding and π-π stacking interactions.
