English  |  正體中文  |  简体中文  |  全文筆數/總筆數 : 56066/90152 (62%)
造訪人次 : 11539509      線上人數 : 59
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/987654321/25397

    題名: Theoretical study of the reaction mechanism of platinum oxide with methane
    作者: 黃德彥;Hwang, Der-yan;Mebel, Alexander M.
    貢獻者: 淡江大學化學學系
    日期: 2002-10-28
    上傳時間: 2009-12-01
    出版者: Elsevier
    摘要: Density functional B3LYP calculations have been employed to investigate the reaction of platinum oxide with methane. PtO is shown to form a molecular complex with CH4 bound by ∼13 kcal/mol. At elevated temperatures, direct abstraction of a hydrogen atom is possible leading to PtOH and free methyl radical with a barrier of ∼26 kcal/mol. A minor reaction channel is insertion into a C–H bond to produce a CH3PtOH molecule, which can be also formed by recombination of PtOH and CH3. CH3PtOH would preferably dissociates through a mechanism involving 1,2-CH3 migration to produce a PtCH3OH complex and eventually Pt+CH3OH.
    關聯: Chemical Physics Letters 365(1-2), pp.140-147
    DOI: 10.1016/S0009-2614(02)01431-8
    顯示於類別:[化學學系暨研究所] 期刊論文


    檔案 大小格式瀏覽次數



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