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
A novel platinum（Ⅳ） complex [Ph3PEt]2[PtCl6] 1 obtained from the reaction of H2PtCl6 and [Ph3PEt]I （Ph3PEt^＋ = ethyl-triphenylphosphenonium） has been structurally characterized. It crystallizes in triclinic, spa...A novel platinum（Ⅳ） complex [Ph3PEt]2[PtCl6] 1 obtained from the reaction of H2PtCl6 and [Ph3PEt]I （Ph3PEt^＋ = ethyl-triphenylphosphenonium） has been structurally characterized. It crystallizes in triclinic, space group P1 with a = 10.20850（10）, b = 10.33870（10）, c = 10.814 .A a = 79.453（12）, β = 66.879（ 11 ）, γ = 72.461 （10）°, V = 998.14（9） A^3, Z = 1, Dc = 1.648 g/cm^3, μ（MoKa） = 4.025 mm^-1, F（000） = 490, C40H40Cl6P2Pt, Mr = 990.44, the final R = 0.0270 and wR = 0.0617 for 5787 observed reflections with 1 〉 2σ（Ⅰ）. Structure analysis indicates that the platinum atom almost has the ideal octahedral coordination geometry of PtCl6. The quaternary phosphate cations （Ph3PEt^＋） acting as counter ions are in combination with PtCl6 anions by static attracting forces and H-bonds. Upon the hydrogen bonds existing between cations and anions, the whole structure represents a chain-like construction. Based on the crystal data, quantum chemistry calculation at the DFT/B3LPY level was carded out to reveal the electronic structure of 1.展开更多
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.
基金This work was supported by the Foundation of Education Committee of Fujian Province (JB03052, JB04016, JB04017) and the Student Research Training Program (SRTP) (04075)
文摘A novel platinum（Ⅳ） complex [Ph3PEt]2[PtCl6] 1 obtained from the reaction of H2PtCl6 and [Ph3PEt]I （Ph3PEt^＋ = ethyl-triphenylphosphenonium） has been structurally characterized. It crystallizes in triclinic, space group P1 with a = 10.20850（10）, b = 10.33870（10）, c = 10.814 .A a = 79.453（12）, β = 66.879（ 11 ）, γ = 72.461 （10）°, V = 998.14（9） A^3, Z = 1, Dc = 1.648 g/cm^3, μ（MoKa） = 4.025 mm^-1, F（000） = 490, C40H40Cl6P2Pt, Mr = 990.44, the final R = 0.0270 and wR = 0.0617 for 5787 observed reflections with 1 〉 2σ（Ⅰ）. Structure analysis indicates that the platinum atom almost has the ideal octahedral coordination geometry of PtCl6. The quaternary phosphate cations （Ph3PEt^＋） acting as counter ions are in combination with PtCl6 anions by static attracting forces and H-bonds. Upon the hydrogen bonds existing between cations and anions, the whole structure represents a chain-like construction. Based on the crystal data, quantum chemistry calculation at the DFT/B3LPY level was carded out to reveal the electronic structure of 1.
