有机分子能带结构测定的综合实验设计  

Comprehensive Experiment Design on the Measurement of Bandgap Structures of Organic Molecules

作　　者：杨凤[1] 于晓艳 邓冬艳 王春霞 徐逸菲 李静[1] YANG Feng;YU Xiaoyan;DENG Dongyan;WANG Chunxia;XU Yifei;LI Jing(School of Chemistry,Sichuan University,Chengdu 610064,China)

机构地区：[1]四川大学化学学院,成都610064

出　　处：《实验科学与技术》2021年第1期75-81,共7页Experiment Science and Technology

基　　金：四川大学实验技术立项(SCU201038);四川大学创新训练项目(C2019106257);四川省科技计划项目(18YYJC1638)。

摘　　要：本综合实验利用电化学方法和吸收光谱法测试有机分子的能带结构。首先,利用电化学工作站测定二茂铁和三(8-羟基喹啉)铝在不同测试体系中的循环伏安曲线。其次,利用紫外−可见分光光度计测定三(8-羟基喹啉)铝的紫外−可见吸收光谱。根据循环伏安曲线和紫外−可见吸收光谱计算得到有机分子的HOMO值、LUMO值和能隙值。其中,电化学方法测得三(8-羟基喹啉)铝的能隙为3.07 eV,吸收光谱法测得的能隙为2.80 eV,两种方法测得的能隙在误差允许的范围内。将传统的测试方法应用于研究有机分子的能带结构的实验教学内容,不仅可以巩固学生的基础知识,而且可以加深学生对电化学氧化还原过程和紫外−可见光吸收过程的认识。In this comprehensive experiment,bandgap structures were determined by cyclic voltammetry and UV-Vis absorption spectroscopy.Firstly,the cyclic voltammetry curves of ferrocene and tris(8-hydroxyquinoline)aluminum were measured using electrochemical workstation.Secondly,the UV-Vis absorption spectrum of tris(8-hydroxyquinoline)aluminum was determined by UVVis spectrophotometer.Highest occupied molecular orbital(HOMO),lowest unoccupied molecular orbital(LUMO)and bandgap values of organic molecules were calculated according to cyclic voltammetry curves and UV-Vis absorption spectrum.The results of the former(3.07 eV)were basically in accordance with that of the latter(2.80 eV),and the deviation was in the permissive range.Applying traditional testing methods to the experimental teaching content regarding the energy band structure of organic molecules not only consolidates students’basic knowledge,but also deepens their understanding of electrochemical redox process and absorption process.

关 键 词：循环伏安法 紫外吸收光谱法 能带结构 实验教学 

分 类 号：TP75[自动化与计算机技术—检测技术与自动化装置]