CAJ | 학술논문

万方数据

无机化学学报 무궤화학학보
JOURNAL OF INORGANIC CHEMISTRY
2005年 6期 933-937 ,共5页

李浩宏%陈之荣%黄长沧%肖光参%李俊篯%张文选

리호굉%진지영%황장창%초광삼%리준전%장문선

有机/无机杂化%模板合成%碘化银%量子化学计算有機/無機雜化%模闆閤成%碘化銀%量子化學計算
유궤/무궤잡화%모판합성%전화은%양자화학계산
organic-inorganic hybrid%template synthesis%silve(Ⅰ) iodide%quantum chemistry calculation

A one dimensional coordination polymer, [(C7H18N)(Ag2I3)]n((C7H18N)+=Methyltriethylammonium) has been successfully synthesized and characterized by X-ray single-crystal diffraction method. Structure analysis shows that the compound consists of organic cations(Methyltriethylammonium) and inorganic anion chains (Ag2I3)n-.The inorganic moiety consists of AgI4 tetrahedron, which shares the same edges with adjacent AgI4 tetrahedrons to the crystal. Anion chains are surrounded by Methyltriethylammonium cations. Anion chains and cations are in combination with each other by static attracting forces in the crystal to form so-called organic-inorganic hybrid structure. According to the crystal structure data, quantum chemistry calculation with DFT on B3LYP level was used to reveal the electronic structure of title compound. CCDC: 254288.