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        13901478361
        江蘇省海安石油化工廠 >> 產品中心 >> 烯丙基聚乙二醇(水泥減水劑) >> 烷基酰胺

        烷基酰胺

        烷基酰胺

                烷基酰胺用量子化學方法研究了丙酸與多乙烯多胺縮合反應機理.采用AM1方法全優化計算了丙酸多胺鹽及其質子化鹽的幾何構型、電子結構以及酸催化下的親核加成和消除反應的位能曲線,求得該兩步反應的活化能分別為6.258 kJ/mol和206.15 kJ/mol.消除反應是速度控制步驟.發現質子化后丙酸羰基碳原子上的凈電荷增大,前線分子軌道能級差減小,前線分子軌道間相互作用增強,表明酸催化大大增強反應活性.

        關鍵字:烷基酰胺

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