[Co(en)3]2(Zr2F12) (ZrF6H2O)· H2O(1) was prepared successfully at room temperature and structurally characterized by single-crystal X-ray diffraction analysis. Crystal data for compound 1 are as follows; monoclinic, C2/c, α = 3.06110(17) tun, 6 = 0.877680(5) nm, c=1.50811 (9) nm, β = 118.897 , V=3. 547(4) nm3, Z = 8. Compound 1 consists of one binuclear [Zr2F12]4-unit, one mono-nuclear [ZrF6H20]2- unit, one cobalt ammine complex [Co(en)3]3+ unit and one water molecule, among which exist extensive hydrogen bonds. The surface photovoltage spectrum of compound 1 exhibit a signal at 339 run, which is attributed to the cooperative behaviors between cobalt ammine complex and metal fluoride ions through interactions of them.%采用常温晶化法合成了1个新的金属配合物与氟化锆的复合物[Co(en)3]2( Zr2F12) (ZrF6 H2O)·H2O(1),并对其单晶结构进行了解析.该化合物属单斜晶系,C2/c空间群,a=3.06110(17) nm,b=0.877680(5)nm,c=1.50811(9) nm,β=118.897(4)°,V=3.547(4) nm3,Z=8.该化合物由双核氟化锆阴离子簇[Zr2F12]4-和单核氟化锆阴离子簇[ ZrF6H2O]2-与钴胺配合物阳离子[Co(en)3]3+及水分子组成,氟化锆与钴胺配合物之间存在大量的氢键.该化合物的表面光电压谱在339nm处出现了光电信号.这种特殊的光电现象有可能归因于该化合物的钴胺配合物阳离子与氟化锆阴离子簇之间存在的协同作用.
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机译:物理化学和生物物理学中分子结构和性质的建模,第四十四届国际会议(modelisation des structures et proprietes moleculaires en Chimie physique et en Biophysique,Quarante-Quatrieme Reunion Internationa