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研究生: 蔡智文
Tsai, Chi-wen
論文名稱: 四元銦硒化合物的合成與鑑定
Syntheses and Characterization of Quaternary Indium Selenides
指導教授: 許桂芳
Hsu, Kuei-fang
學位類別: 碩士
Master
系所名稱: 理學院 - 化學系
Department of Chemistry
論文出版年: 2007
畢業學年度: 95
語文別: 中文
論文頁數: 49
中文關鍵詞: 助熔劑長晶法能隙鏈狀結構
外文關鍵詞: flux-growth methods, chains, band-gap
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  • 利用助熔劑長晶法在800℃合成出二個新穎的四元化合物Ba4AgInSe6、Ba4Cu3In3Se10。化合物 Ba4AgInSe6,結晶的晶系為三斜,空間群為P-1, a = 4.509 Å, b = 9.19480(10) Å, c = 17.8841(2) Å, α = 89.9980(10)°, β= 90.0010(10)°, γ= 90.0020(10)°, Z = 6和V = 741.447(12) Å3。結構由[MSe4]四面體所組成 (M為銀和銦),並以共享角的方式形成一維鏈狀結構。銦和銀兩離子所佔據的金屬位置其平均鍵長M-Se介於2.6140(9) Å和2.6655(9) Å之間。鋇離子座落於鏈之間並與七個陰離子硒鍵結,其長度分布從3.2118(8) Å到3.4812(8) Å。測量化合物的能隙為1.81eV。化合物Ba4Cu3In3Se10,結晶的晶系為單斜,空間群為P21/c, a = 4.0839(8) Å, b = 27.148(5) Å, c = 21.599(4) Å, α = 90°, β= 90.05(3)°, γ= 90°, Z = 8和V = 2394.7(8) Å3。結構由[CuSe5]四方錐和[CuSe6]八面體藉由共享邊的方式形成二維的厚板,並有[InSe4]四面體以共享角的方式環繞在其周圍。令人感興趣的是在此厚板狀中的銅多面體以似方螢石結構的連結排列。鋇離子座落於厚板之間並有八個陰離子硒環繞。

    Two new quaternary compounds of Ba4AgInSe6 and Ba4Cu3In3Se10 have been synthesized by the flux-growth methods at 800℃. The compound of Ba4AgInSe6 crystallizes in triclinic, P-1, a = 4.509 Å, b = 9.19480(10) Å, c = 17.8841(2) Å, α = 89.9980(10)°, β= 90.0010(10)°, γ= 90.0020(10)°, z = 4 and V = 741.447(12) Å3. The structure is composed of [MSe4] (M = Ag and In) tetrahedra to form one-dimensional chains by corner-sharing. The bond distances of M-Se are between 2.6140(9) Å and 2.6655(9) Å, which values correspond to the average distances as the metal sites occupied by both indium and silver ions. The barium ions are located between these chains and surrounded by seven selenium anions with the Ba-Se distances distributed between 3.2118(8) Å and 3.4812(8) Å. The measure band-gap of the compound is 1.81eV .The compound of Ba4Cu3In3Se10 crystallizes in monoclinic, P21/c, a = 4.0839(8) Å, b = 27.148(5) Å, c = 21.599(4) Å, α = 90°, β= 90.05(3)°, γ= 90°, z = 8 and V = 2394.7(8) Å3. The structure is composed of [CuSe5] square pyramids and [CuSe6] octahedra to form two-dimensional slabs by edge-sharing where [InSe4] tetrahedra surround the periphery of slabs by corner-sharing. Interestingly, the copper polyhedra are arranged as the antifluorite-like connectivity in the slabs. The barium ions are located between these slabs and surrounded by eight selenium anions.

    摘要 I Abstract II 誌謝 IV 表目錄 VIII 圗目錄 IX 第一章 序論 1 1-1 研究緣由 1 1-2 研究成果 5 第二章 化合物的合成與分析 6 2-1合成方法及藥品  6 Ba4AgInSe6化合物的合成 8 Ba4Cu3In3Se10化合物的合成 9 2-2單晶X-ray收集與結構解析 10 Ba4AgInSe6 10 Ba4Cu3In3Se10 13 2-3元素分析 14 2-4粉末X-光繞射分析 15 2-5 UV-Vis反射光譜分析 16 第三章 結果與討論 17 3-1 Ba4AgInSe6鏈狀化合物化合物的結構描述與討論及性 質 17 3-2 Ba4Cu3In3Se10化合物的結構描述與討論 22 第四章 結論 35 參考文獻 36

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