<progress id="blzj5"></progress>
<menuitem id="blzj5"><del id="blzj5"><address id="blzj5"></address></del></menuitem><thead id="blzj5"></thead>
<menuitem id="blzj5"><dl id="blzj5"></dl></menuitem>
<thead id="blzj5"><dl id="blzj5"></dl></thead>
<var id="blzj5"><dl id="blzj5"></dl></var>
<listing id="blzj5"><dl id="blzj5"><noframes id="blzj5">
<thead id="blzj5"><dl id="blzj5"></dl></thead><listing id="blzj5"></listing><listing id="blzj5"></listing>
<menuitem id="blzj5"></menuitem>
<ins id="blzj5"></ins>
<thead id="blzj5"><del id="blzj5"><th id="blzj5"></th></del></thead><listing id="blzj5"></listing>
<thead id="blzj5"></thead>
陳喜, 陳慧慧,陸娟鳳.酸催化丙酮碘化反應機理的理論研究[J].中南民族大學學報自然科學版,2019,(2):165-169
酸催化丙酮碘化反應機理的理論研究
Theoretical investigation on the mechanism of acid-catalyzed iodination reaction of acetone
  
DOI:10.12130/znmdzk.20190202
中文關鍵詞: 酸催化  丙酮碘化反應  反應機理  過渡態理論  量子化學
英文關鍵詞: acid-catalyze  acetone iodination reaction  reaction mechanism  transition state theory  quantum chemistry
基金項目:國家自然科學基金資助項目(21273089)
作者單位
陳喜, 陳慧慧,陸娟鳳 中南民族大學 化學與材料學院,武漢430074 
摘要點擊次數: 223
全文下載次數: 192
中文摘要:
      利用量子力學法對酸催化丙酮碘化反應的多種競爭性途徑進行了一系列的理論研究,分析了該反應由丙酮烯醇化和烯醇碘化兩個子反應構成.計算結果表明:丙酮烯醇化反應為決速反應,主要通過酸輔助單步質子轉移反應途徑來實現.研究結果合理地解釋了反應機理和速率方程之間關系,從微觀角度揭示了水合質子以及水分子在反應中的作用.
英文摘要:
      A series of theoretical studies were carried to investigate various competition pathways of the acid-catalyzed iodination reaction of acetone by quantum mechanics. The reaction was found consisted of two sub-reactions: the enolization of acetone and the subsequent iodination of enol. The present calculation demonstrated that the enolization of acetone was rate-determining, which proceeded mainly through a single-step acid-assisted hydrogen transfer pathway. The result reasonably explained the correlation between the reaction mechanism and the rate equation. In addition, the calculation also revealed the role of hydrated protons and water molecules in the reaction.
查看全文   查看/發表評論  下載PDF閱讀器
關閉
秒速赛车开奖查询结果