NH_4)_(12)(V_(10)O_(28))_2·(H_2O)_(12)M_r=2347. 44 , triclinic, P1, a=10. 155 (1), b=10. 286(3) , c=16. 732(9) A, a=96. 50(4), β=87.18(4),γ=108. 99 (1)°, V=1642(4) A ￣3, Z=1, D_c=2. 37 g/cm￣3, F(000)=11...NH_4)_(12)(V_(10)O_(28))_2·(H_2O)_(12)M_r=2347. 44 , triclinic, P1, a=10. 155 (1), b=10. 286(3) , c=16. 732(9) A, a=96. 50(4), β=87.18(4),γ=108. 99 (1)°, V=1642(4) A ￣3, Z=1, D_c=2. 37 g/cm￣3, F(000)=1160,λ(MoKa)=0. 71069 A, μ=27. 43 cm￣(-1), T= 23℃,final R=0.040 and R_w=0. 058 for 4415 observatives reflections with I≥3σ(I).The title compound contains two (V_(10)O_(28))￣(-6) anions, twelve NH ions and twelve water molecules.The decavanadate anion is an isolated group consisting of ten condensed VO_6 octahedra sharing edges. The anions and the water molecules as well as the cations and the water molecules are connected by the strong hydrogen bonds (the distances are in the range of 2. 758～2. 956 A ).the anions and the cations are connected by the strong hydrogen bonds (2. 720～2. 859A) and the electrostatic force.展开更多
Three polymeric heterometallic clusters with 1D, 2D, and 3D frameworks, constructed from a cyclic vanadate {V4O12}4- building block and three geometric constraint ligands, were synthesized by a one-pot self-assembly r...Three polymeric heterometallic clusters with 1D, 2D, and 3D frameworks, constructed from a cyclic vanadate {V4O12}4- building block and three geometric constraint ligands, were synthesized by a one-pot self-assembly reaction. Z-scan experiments demonstrated that all the three cluster polymers have large hyperpolarizability y values. TD-DFT calculations afforded insight into the electronic transitions and spectral characterization of these novel NLO molecular materials.展开更多
文摘NH_4)_(12)(V_(10)O_(28))_2·(H_2O)_(12)M_r=2347. 44 , triclinic, P1, a=10. 155 (1), b=10. 286(3) , c=16. 732(9) A, a=96. 50(4), β=87.18(4),γ=108. 99 (1)°, V=1642(4) A ￣3, Z=1, D_c=2. 37 g/cm￣3, F(000)=1160,λ(MoKa)=0. 71069 A, μ=27. 43 cm￣(-1), T= 23℃,final R=0.040 and R_w=0. 058 for 4415 observatives reflections with I≥3σ(I).The title compound contains two (V_(10)O_(28))￣(-6) anions, twelve NH ions and twelve water molecules.The decavanadate anion is an isolated group consisting of ten condensed VO_6 octahedra sharing edges. The anions and the water molecules as well as the cations and the water molecules are connected by the strong hydrogen bonds (the distances are in the range of 2. 758～2. 956 A ).the anions and the cations are connected by the strong hydrogen bonds (2. 720～2. 859A) and the electrostatic force.
基金supported by the National Natural Science Foundation of China(21371105,51372125)the Natural Science Foundation of Shandong Province(2009ZRA02071)+1 种基金the Scientific Development Plan of University in Shandong Province(J09LB53)the Doctoral Science Foundation of QUST
文摘Three polymeric heterometallic clusters with 1D, 2D, and 3D frameworks, constructed from a cyclic vanadate {V4O12}4- building block and three geometric constraint ligands, were synthesized by a one-pot self-assembly reaction. Z-scan experiments demonstrated that all the three cluster polymers have large hyperpolarizability y values. TD-DFT calculations afforded insight into the electronic transitions and spectral characterization of these novel NLO molecular materials.
