A mononuclear complex, cis-1,10-phenanthroline-palladium(Ⅱ)(THF)2]dinitrate (THF = tetrahydrofuran) [Pd(C10H8N2)(C4H8O)2](NO3)2 1, has been prepared and structurally characterized by single-crystal X-ray diffraction....A mononuclear complex, cis-1,10-phenanthroline-palladium(Ⅱ)(THF)2]dinitrate (THF = tetrahydrofuran) [Pd(C10H8N2)(C4H8O)2](NO3)2 1, has been prepared and structurally characterized by single-crystal X-ray diffraction. The crystal belongs to monoclinic system, space group P21/c with a = 7.881(1), b = 27.371(3), c = 10.178(1) ? ?= 103.313(3)? V = 2136.5(4) 3, Mr = 554.83, Dc = 1.725 g/cm3, Z = 4, F(000) = 1128 and (MoK) = 0.926 mm-1. The structure was refined to R = 0.0678 and wR = 0.1651 for 1687 observed reflections with I > 2(I). It is revealed that the central Pd(Ⅱ) ion in the title complex is bonded to two THF and two phenanthroline molecules in a cis-configuration to form the coordination geometry, deviating slightly from the square plane.展开更多
The copper（Ⅱ） DPP adduct Cu（DPP）（DMF）2（H2O）-（ClO4）2 1 （DPP = 4,7-diphenyl-1, 10-phentheanthroline, DMF = N,N＇-dimethyl formamide） has been prepared by a direct synthetic method and structurally character...The copper（Ⅱ） DPP adduct Cu（DPP）（DMF）2（H2O）-（ClO4）2 1 （DPP = 4,7-diphenyl-1, 10-phentheanthroline, DMF = N,N＇-dimethyl formamide） has been prepared by a direct synthetic method and structurally characterized. It presents a mononuclear structure and crystallizes in triclinic, space group P1 with a = 9.8717（2）, b = 12.579, c = 14.7574（2） A, α = 67.976（6）,β = 82.031（9）, γ = 80.343（9）°, V = 1668.96（9）A, Z = 1, Dc= 1.495 g/cm^3,/t（MoKα） = 0.877 mm^-1, F（000） = 774, C60H64Cl4Cu2N8O221 Mr = 1502.09, the final R1= 0.0643 and wR2 = 0.1799 for 6153 observed reflections with 1 〉 2σ（1）. Structure analysis shows that copper atom presents an unusual fivecoordination of square pyramid geometry. The whole structure is stabilized by π-π stacking interactions and static attractive forces from [ClO4]-anions. Based on crystal data, quantum chemistry calculation on DFF/B3LPY level was used to reveal the electronic structure of 1.展开更多
基金We thank NNSFC (No. 90206013) foundation for the financial support of this research
文摘A mononuclear complex, cis-1,10-phenanthroline-palladium(Ⅱ)(THF)2]dinitrate (THF = tetrahydrofuran) [Pd(C10H8N2)(C4H8O)2](NO3)2 1, has been prepared and structurally characterized by single-crystal X-ray diffraction. The crystal belongs to monoclinic system, space group P21/c with a = 7.881(1), b = 27.371(3), c = 10.178(1) ? ?= 103.313(3)? V = 2136.5(4) 3, Mr = 554.83, Dc = 1.725 g/cm3, Z = 4, F(000) = 1128 and (MoK) = 0.926 mm-1. The structure was refined to R = 0.0678 and wR = 0.1651 for 1687 observed reflections with I > 2(I). It is revealed that the central Pd(Ⅱ) ion in the title complex is bonded to two THF and two phenanthroline molecules in a cis-configuration to form the coordination geometry, deviating slightly from the square plane.
基金This work was supported by the Foundation of Education Committee of Fujian Province (NOS: JB03052, JB04016, JB04017) and the Student Research Training Program (SRTP)(NOS:03100)
文摘The copper（Ⅱ） DPP adduct Cu（DPP）（DMF）2（H2O）-（ClO4）2 1 （DPP = 4,7-diphenyl-1, 10-phentheanthroline, DMF = N,N＇-dimethyl formamide） has been prepared by a direct synthetic method and structurally characterized. It presents a mononuclear structure and crystallizes in triclinic, space group P1 with a = 9.8717（2）, b = 12.579, c = 14.7574（2） A, α = 67.976（6）,β = 82.031（9）, γ = 80.343（9）°, V = 1668.96（9）A, Z = 1, Dc= 1.495 g/cm^3,/t（MoKα） = 0.877 mm^-1, F（000） = 774, C60H64Cl4Cu2N8O221 Mr = 1502.09, the final R1= 0.0643 and wR2 = 0.1799 for 6153 observed reflections with 1 〉 2σ（1）. Structure analysis shows that copper atom presents an unusual fivecoordination of square pyramid geometry. The whole structure is stabilized by π-π stacking interactions and static attractive forces from [ClO4]-anions. Based on crystal data, quantum chemistry calculation on DFF/B3LPY level was used to reveal the electronic structure of 1.
