吗啡衍生化反应的区位选择性的理论研究

来源 :第十二届全国量子化学会议 | 被引量 : 0次 | 上传用户：dongwujunye

【摘要】

：

气相色谱和液相色谱中常用衍生化方法[1]分析样品,最后进行色谱测定,酰化试剂对于解决此类问题,是常用的衍生化试剂,本文在此对吗啡与酰化试剂[2]进行了理论计算研究,利用密度泛函理论中的B3LYP方法[3-5],6-31++G(d,p)基组对吗啡与衍生化试剂之间的区位选择性进行了理论计算研究,发现氧6-单乙酰吗啡和氧3-单乙酰吗啡的反应活化能有所区别,生成衍生物以氧6-单乙酰吗啡取代为主,并通过过渡

【作者】

：

马竞赵东霞杨忠志

【机构】

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辽宁师范大学化学化工学院,辽宁大连 116029;辽宁警察学院刑事技术系,辽宁大连 116036

【出处】

：

第十二届全国量子化学会议

【发表日期】

：

2014年1期

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吗啡衍生化反应的区位选择性的理论研究

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