高师化学专业绿色化学课程教学内容的探讨

结合教学实践,对高师化学专业绿色化学课程教学目标及知识点和教学内容的选择进行了探讨。     

Density Functional Theory Studies on the Mechanism of Activation Formic Acid Catalyzed by Transition Metal Oxide MoO

This paper systematically studies the reaction mechanisms of formic acid catalyzed by transition metal oxide MoO. Three different reaction pathways of Routes I, Ⅱ and Ⅲ were found through studying the reaction mechanism of transition metal oxide MoO catalyzing the formic acid. The transition metal oxide MoO interacts with the C=O double bond to form chiral chain compounds(Routes I and Ⅱ) and metallic compound MoOH_2(Route Ⅲ). In this paper, we have studied the mechanisms of two addition reaction pathways and hydrogen abstraction reaction pathway. Routes I and Ⅱ are both addition reactions, and their products are two different chiral compounds MoO_3CH_2, which are enantiomeric to each other. In Route Ⅲ, metal compounds MoOH_2 and CO_2 are obtained from the hydrogen abstraction reaction. Among them, the hydrogen abstraction reaction occurring in Route Ⅲ is more likely to occur than the others. By comparing the results of previous studies on the reaction of MxOy-+ ROH(M= Mo,W; R = Me, Et), we found that the hydrogen abstraction mechanism is completely different from the mechanism of oxygen-containing organic compound catalyzed by MxOy.