(PPh_3)_2Ni(i-mnt),(i-mnt=S_2C=C(CN)_2),Mr=613.43,monoclinic,Pn,a=9.167(3),b=10.872(3), c=18.209(7) ,β=101.46(3)°,V=1779(1) ,Z=2,Dc=1.15 g/cm^3,λ(Moka)=0.71069 ,μ=7.67 cm^(-1), F(000)=648,T=296K,final R=0.060,...(PPh_3)_2Ni(i-mnt),(i-mnt=S_2C=C(CN)_2),Mr=613.43,monoclinic,Pn,a=9.167(3),b=10.872(3), c=18.209(7) ,β=101.46(3)°,V=1779(1) ,Z=2,Dc=1.15 g/cm^3,λ(Moka)=0.71069 ,μ=7.67 cm^(-1), F(000)=648,T=296K,final R=0.060,Rw=0.073 for 1909 observed reflections with Ⅰ≥3σ(Ⅰ).The complex adopts a square planar geometry as its coordination unit,the mean Ni-S and Ni-P distances are 2.216 and 2.221 ,respectivety.展开更多
Phase transition and band structure tuned by uniaxial and biaxial strains are systematically investigated based on the density-functional theory for ordered All/2 Ga1/2N alloys of complex structures. Although the stru...Phase transition and band structure tuned by uniaxial and biaxial strains are systematically investigated based on the density-functional theory for ordered All/2 Ga1/2N alloys of complex structures. Although the structural transformations to graphite-like from wurtzite are energetically favorable for both types of strain, the phase transitions are different in nature： the second-order transition induced by uniaxial strain is jointly driven by the mechanical and dynamical instabilities and the first-order transition by biaxial strain only by the mechanical instability. The wurtzite phase always shows the direct band gap, while the band gap of the graphite-like phase is always indirect. Furthermore, the band gaps of the wurtzite phase can be reduced by both types of strain, while that of the graphite-like phase is enhanced by uniaxial strain and is suppressed by biaxial strain.展开更多
[Zn(POM)_2Br_2](POM is 3-Methyl-4-Nitropyridine-1-Oxide),C_(12)H_(12)Br_2N_4O_6Zn, Mr=533.44,triclinic,P1,a=11.450(3),b=13.027(2),c=6.605(1),α=101.25(1),β=96.96(2), γ=108.06(2)°,V=901.2(4)~3,Z=2,D_c=1.97g·...[Zn(POM)_2Br_2](POM is 3-Methyl-4-Nitropyridine-1-Oxide),C_(12)H_(12)Br_2N_4O_6Zn, Mr=533.44,triclinic,P1,a=11.450(3),b=13.027(2),c=6.605(1),α=101.25(1),β=96.96(2), γ=108.06(2)°,V=901.2(4)~3,Z=2,D_c=1.97g·cm^(-3),(MoK_α)=0.71069,F(000)=520, μ=58.21cm^(-1),final R=0.040 for 2192 observed reflections,T=296K.The compound is a mononuclear complex,containing a tetrahedrally coordinated zinc atom.展开更多
We present a construction of globally convergent power series of integrable Beltrami differentials on the Ricci-flat -manifolds and also a construction of global canonical family of holomorphic （n, 0）-forms on the...We present a construction of globally convergent power series of integrable Beltrami differentials on the Ricci-flat -manifolds and also a construction of global canonical family of holomorphic （n, 0）-forms on the deformation spaces of the Ricci-flat -manifolds.展开更多
文摘(PPh_3)_2Ni(i-mnt),(i-mnt=S_2C=C(CN)_2),Mr=613.43,monoclinic,Pn,a=9.167(3),b=10.872(3), c=18.209(7) ,β=101.46(3)°,V=1779(1) ,Z=2,Dc=1.15 g/cm^3,λ(Moka)=0.71069 ,μ=7.67 cm^(-1), F(000)=648,T=296K,final R=0.060,Rw=0.073 for 1909 observed reflections with Ⅰ≥3σ(Ⅰ).The complex adopts a square planar geometry as its coordination unit,the mean Ni-S and Ni-P distances are 2.216 and 2.221 ,respectivety.
基金Supported by the Fundamental Research Funds for the Central Universities under Grant No 2013QNA38
文摘Phase transition and band structure tuned by uniaxial and biaxial strains are systematically investigated based on the density-functional theory for ordered All/2 Ga1/2N alloys of complex structures. Although the structural transformations to graphite-like from wurtzite are energetically favorable for both types of strain, the phase transitions are different in nature： the second-order transition induced by uniaxial strain is jointly driven by the mechanical and dynamical instabilities and the first-order transition by biaxial strain only by the mechanical instability. The wurtzite phase always shows the direct band gap, while the band gap of the graphite-like phase is always indirect. Furthermore, the band gaps of the wurtzite phase can be reduced by both types of strain, while that of the graphite-like phase is enhanced by uniaxial strain and is suppressed by biaxial strain.
文摘[Zn(POM)_2Br_2](POM is 3-Methyl-4-Nitropyridine-1-Oxide),C_(12)H_(12)Br_2N_4O_6Zn, Mr=533.44,triclinic,P1,a=11.450(3),b=13.027(2),c=6.605(1),α=101.25(1),β=96.96(2), γ=108.06(2)°,V=901.2(4)~3,Z=2,D_c=1.97g·cm^(-3),(MoK_α)=0.71069,F(000)=520, μ=58.21cm^(-1),final R=0.040 for 2192 observed reflections,T=296K.The compound is a mononuclear complex,containing a tetrahedrally coordinated zinc atom.
文摘We present a construction of globally convergent power series of integrable Beltrami differentials on the Ricci-flat -manifolds and also a construction of global canonical family of holomorphic （n, 0）-forms on the deformation spaces of the Ricci-flat -manifolds.
