English  |  正體中文  |  简体中文  |  全文筆數/總筆數 : 49299/83867 (59%)
造訪人次 : 7160606      線上人數 : 47
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
搜尋範圍 查詢小技巧:
  • 您可在西文檢索詞彙前後加上"雙引號",以獲取較精準的檢索結果
  • 若欲以作者姓名搜尋,建議至進階搜尋限定作者欄位,可獲得較完整資料
  • 進階搜尋
    請使用永久網址來引用或連結此文件: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/25260


    題名: Structures and stabilities of C60(OH)6 and C60(OH)12 fullerenols
    作者: 王伯昌;Wnag, Bo-cheng;Cheng, Chang-yuan
    貢獻者: 淡江大學化學學系
    關鍵詞: C60(OH)6;C60(OH)12,Fullerene;Fullerenol
    日期: 1997-02-28
    上傳時間: 2009-12-01
    出版者: Elsevier
    摘要: Recently, Chiang's group have prepared water-soluble polyhydroxylated C60 derivatives (Fullerenols) in fuming sulfuric acid via hydrolysis of polycyclosulfated precursors. A suggested reaction mechanism is proposed. The calculation of different isomers of C60(OH)6 and C60(OH)12 fullerenols has been carried out using the semiempirical MNDO and MM2 methods with two different approaches:

    1.(a) consideration of the geometries and thermodynamic stabilities;
    2.(b) consideration of the cyclosulfation and hydrolysis reaction mechanisms.

    For (a), the double bonds in the pentagon lead to a decrease in the electron delocalization energy. Thus, the ΔHfO values of fullerenol are predicted to increase for each double bond placed in the pentagon for these fullerenols. According to the ΔHfo values, the most stable structures of C60(OH)6 and C60(OH)12 with externally bound hydroxyl groups have been generated, with Cs and S6 symmetries respectively. The ΔHfOvalues for these fullerenols are 503 kcal mol−1 (C60(OH)6) and 131.8 kcal mol−1 (C60(OH)12). According to the geometric structure of C60(OH)6 and C60(OH)12 fullerenol, multi-hydroxy additions follow 1,2- or 1,4- addition to a cyclohexatriene. For (b) the most likely products in this reaction are C60(OH)6 (Cs) and C60(OH)12 (S6), whose ΔHfOvalues are 573 and 141.5 kcal mol−1, respectively. These stable structures could contain exact hydroxyl group sites in C60, and they may be helpful in the investigation of the physical properties of polymers or other groups substituted onto fullerenols (called star-like polymers).
    關聯: Journal of Molecular Structure : Theochem 391(1-2), pp.179-187
    DOI: 10.1016/S0166-1280(96)04800-2
    顯示於類別:[化學學系暨研究所] 期刊論文

    文件中的檔案:

    檔案 描述 大小格式瀏覽次數
    0KbUnknown156檢視/開啟
    index.html0KbHTML33檢視/開啟

    在機構典藏中所有的資料項目都受到原著作權保護.

    TAIR相關文章

    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library & TKU Library IR teams. Copyright ©   - 回饋