浅谈催化还原4-硝基酚反应中转换频率的计算  

A Brief Discussion upon Calculation of Turnover Frequency for Catalytic Reduction of 4-nirtrophenol

作　　者：邢立文 XING Li-wen(College of Chemistry and Materials Engineering,Beijing Technology and Business University,Beijing 100048,China)

机构地区：[1]北京工商大学化学与材料工程学院,北京100048

出　　处：《广州化工》2023年第7期193-195,共3页GuangZhou Chemical Industry

基　　金：北京工商大学青年教师科研启动基金资助项目(No:QNJJ2022-22)。

摘　　要：4-硝基酚在还原剂和催化剂共存的条件下可以生成4-氨基酚。计算该催化反应的转换频率(TOF)能够反映所用催化剂材料的本征活性。很多学生盲目地根据文献报道的公式计算TOF数值时容易出现错误,这可能是由于没有真正理解TOF的定义及其计算公式的由来。本文针对这类一级或准一级反应的TOF计算公式进行了详细的数学推导,以期在实验教学和科研实践中为学生们更加深入地理解和掌握TOF计算提供有益参考。4-nitrophenol can turn into 4-aminophenol under the coexistence of reductant and catalyst.The calculation of turnover frequency(TOF)for this reaction is able to reflect the intrinsic reactivity of used catalyst materials.However,most students were prone to make mistakes when calculating TOF values blindly according to the formulas reported in the literature,which was likely to be attributed to the lack of full understanding for the definition of TOF and its origin of calculation equation.Herein,the detailed mathematic deduction toward the calculation formula of TOF was carried out based on this type of first-order or quasi-first order reactions,in order to provide beneficial guideline for students to better understand and master TOF calculations in experimental teaching and scientific research.

关 键 词：转换频率 计算公式 催化反应 活性位 4-硝基酚 

分 类 号：O643.3[理学—物理化学]