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分析低压温条件下铜(I)催化苯并[b][1,4]二氮的活性反应,对铜(I)催化苯并[b][1,4]二氮的结构进行了表征,通过对反应条件的摸索提高低压温条件下铜(I)催化苯并[b][1,4]二氮的抗细菌活性能力,首先分析了苯并[b][1,4]二氮的几何键位构型,采用分子动力学模拟方法分析活性反应特征,得到低压温条件下苯并[b][1,4]二氮的径向分布函数和离子水合数,通过活性反应形成的反键态轨道分析电子转移能力,实现低压温条件下铜(I)催化苯并[b][1,4]二氮的活性反应动力学模拟和电荷密度分析。
The structure of benzo [b] [1,4] diazolium catalyzed by copper (I) was characterized by copper (I) -catalyzed reaction of benzo [b] Through exploring the reaction conditions to improve the antibacterial activity of copper (I) catalyzed benzo [b] [1,4] diazepines under low pressure, we first analyzed the antibacterial activity of benzo [b] [1,4] Geometry configuration, the molecular dynamics simulation method was used to analyze the characteristics of the active reaction, and the radial distribution function and ionic hydration number of benzo [b] [1,4] The kinetic simulation and charge density analysis of the activity of copper (I) catalyzed benzo [b] [1,4] diazoxide under low pressure were carried out.