亚氨基二乙醇的电子结构及其毒性机制的量子化学研究

A Quantum Chemistry Study on the Electronic Structure of Diethaneolimine and Its Toxicosis to Catalyst

直接使用亚氨基二乙醇高压脱氢制备亚氨基二乙酸是一个新工艺 ,但亚氨基二乙醇容易使脱氢催化剂 (骨架铜 )中毒 ,导致催化剂的活性降低及使用寿命缩短。本文从理论上讨论亚氨基二乙醇的电子结构 ,从而探讨它使骨架铜催化剂中毒的位置及原因 。

Directly useing diethanolimine dehydrogenation in high pressure to obtain diaceticacidimine is a new technology. But diethanolimine was easy to toxicosis dehydrogenation catalyst, at last depressed the catalyst's activiy.In this paper, the electronic structure of diethanolimine was explained, and the activity site and the cause of toxicosising,was discussed lots of experience facts were explained.