The title compound[Co(2,2-bipy) 3] 4[Mo 10V 6O 40(PO 4)] 2·4H 2O was synthesized by hydrothermal method and its structure was determined with single crystal X-ray analysis. The cluster anion is double tetracapped...The title compound[Co(2,2-bipy) 3] 4[Mo 10V 6O 40(PO 4)] 2·4H 2O was synthesized by hydrothermal method and its structure was determined with single crystal X-ray analysis. The cluster anion is double tetracapped Pseudo-Keggin cluster anions. The crystal is triclinic, space group P-1 with a=\{1\^316 5(3)\} nm, b=1\^438 2(3) nm, c=2\^764 4(6) nm, α=79\^51°, β=89\^95°, γ=68\^89°, V=\{4\^789 3(17)\} nm 3, Z=1, D c=2\^176 g/cm 3, R=0\^075 5, wR=0\^205 3, S=0\^995.展开更多
The reactions of anionic zirconium oxide clusters ZrxOy- with C2H6 and C4H10 are investi-gated by a time of flight mass spectrometer coupled with a laser vaporization cluster source.Hydrogen containing products Zr2O5H...The reactions of anionic zirconium oxide clusters ZrxOy- with C2H6 and C4H10 are investi-gated by a time of flight mass spectrometer coupled with a laser vaporization cluster source.Hydrogen containing products Zr2O5H- and Zr3O7H- are observed after the reaction. Den-sity functional theory calculations indicate that the hydrogen abstraction is favorable in the reaction of Zr2O5- with C2H6, which supports that the observed Zr2O5H- and Zr3O7H- are due to hydrogen atom abstraction from the alkane molecules. This work shows a newpossible pathway in the reaction of zirconium oxide cluster anions with alkane molecules.展开更多
文摘The title compound[Co(2,2-bipy) 3] 4[Mo 10V 6O 40(PO 4)] 2·4H 2O was synthesized by hydrothermal method and its structure was determined with single crystal X-ray analysis. The cluster anion is double tetracapped Pseudo-Keggin cluster anions. The crystal is triclinic, space group P-1 with a=\{1\^316 5(3)\} nm, b=1\^438 2(3) nm, c=2\^764 4(6) nm, α=79\^51°, β=89\^95°, γ=68\^89°, V=\{4\^789 3(17)\} nm 3, Z=1, D c=2\^176 g/cm 3, R=0\^075 5, wR=0\^205 3, S=0\^995.
基金This work was supported by the Chinese Academy of Sciences （Hundred Talents Fund）, the National Natural Science Foundation of China （No.20703048 and No.20803083）, and the Center of Molecular Science Foundation of Institute of Chemistry, Chinese Academy of Sciences （No.CMS-LX200902）.
文摘The reactions of anionic zirconium oxide clusters ZrxOy- with C2H6 and C4H10 are investi-gated by a time of flight mass spectrometer coupled with a laser vaporization cluster source.Hydrogen containing products Zr2O5H- and Zr3O7H- are observed after the reaction. Den-sity functional theory calculations indicate that the hydrogen abstraction is favorable in the reaction of Zr2O5- with C2H6, which supports that the observed Zr2O5H- and Zr3O7H- are due to hydrogen atom abstraction from the alkane molecules. This work shows a newpossible pathway in the reaction of zirconium oxide cluster anions with alkane molecules.
