数字化技术在顺(反)式二甘氨酸合铜配合物制备实验中的应用与创新设计

引用本文: 段雨爱, 甘轩羽, 付垚, 曹英杰, 韩洪亮, 马占芳. 数字化技术在顺(反)式二甘氨酸合铜配合物制备实验中的应用与创新设计[J]. 大学化学, 2026, 41(1): 373-381. doi: 10.12461/PKU.DXHX202504048 shu

Citation: Yuai Duan, Xuanyu Gan, Yao Fu, Yingjie Cao, Hongliang Han, Zhanfang Ma. Application and Innovative Design of Digital Technology in the Preparation Experiment of Cis(Trans)-Diglycine Copper Complexes[J]. University Chemistry, 2026, 41(1): 373-381. doi: 10.12461/PKU.DXHX202504048 shu

数字化技术在顺(反)式二甘氨酸合铜配合物制备实验中的应用与创新设计

首都师范大学化学系, 北京 100048

通讯作者: 韩洪亮，E-mail:hanhongliang@cnu.edu.cn

基金项目:
首都师范大学本科教学改革研究项目“基于知识图谱的魅力化学课程智慧教学实践研究”

摘要: 顺(反)式二甘氨酸合铜制备实验是几何异构配合物制备的经典化学实验。通过引入量子化学计算和颜色识别技术对该实验进行了创新设计，解决了该实验现象易观测而微观机制难理解，以及反应终点不易控制、产率不高等问题。运用量子化学软件Gaussian 09及其可视化工具GaussView，采用密度泛函理论(DFT)对顺、反式二甘氨酸合铜分子的几何结构、能量、偶极矩以及静电势等参数进行计算，使学生初步掌握运用量子化学计算方法求算几何异构配合物分子的思路和方法，进而从微观层面深入理解顺反异构体之间的差异性。同时，基于C++编程语言与OpenCV库，通过机器视觉技术搭建一个颜色识别系统，利用摄像头捕捉反应区域图像，结合HSV颜色空间模型分析溶液颜色变化，实现对顺式二甘氨酸合铜异构化生成反式二甘氨酸合铜反应过程中溶液颜色变化的实时监控及自动识别与判断，精确监测反应终点。将量子化学计算与颜色识别技术有机结合并融入实验教学内容中，有助于学生更为深入地理解分子结构与性质之间的内在联系，大幅提高实验数据的精准度与可信度。同时能有力增强学生的科学思维能力、跨学科综合运用能力，切实提升学生在数智化领域的应用水平。

关键词:

English

Application and Innovative Design of Digital Technology in the Preparation Experiment of Cis(Trans)-Diglycine Copper Complexes

Department of Chemistry, Capital Normal University, Beijing 100048, China

Corresponding author: Hongliang Han, hanhongliang@cnu.edu.cn

Received Date: 15 April 2025
Revised Date: 23 July 2025
Available Online: 08 September 2025

Abstract: The preparation of cis(trans)-diglycine copper complexes represents a classic experiment in geometric isomer synthesis. To address the challenges of comprehending microscopic mechanisms, controlling reaction endpoints, and improving yields—despite the easily observable experimental phenomena—we have innovatively integrated quantum chemical calculations and color recognition technologies. Using Gaussian 09 with its visualization tool GaussView, we performed density functional theory (DFT) calculations to analyze geometric structures, energies, dipole moments, and electrostatic potentials of both cis- and trans-diglycine copper(II) complexes. This approach enables students to apply quantum chemical methods for investigating geometric isomer properties while gaining fundamental insights into their structural differences at the molecular level. Concurrently, we developed a machine vision-based color recognition system using C++ programming and OpenCV library. This system employs camera-captured reaction images analyzed through HSV color space modeling to monitor real-time solution color changes during the cis-to-trans isomerization process, thereby achieving precise endpoint determination. The synergistic incorporation of quantum chemical computation and color recognition technology into experimental teaching not only enhances students’ understanding of structure-property relationships but also improves experimental accuracy and reliability. Furthermore, this integrated approach effectively cultivates students’ scientific reasoning, interdisciplinary application skills, and digital intelligence competencies.

Key words:

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数字化技术在顺(反)式二甘氨酸合铜配合物制备实验中的应用与创新设计

通讯作者: 韩洪亮，E-mail:hanhongliang@cnu.edu.cn

English

Application and Innovative Design of Digital Technology in the Preparation Experiment of Cis(Trans)-Diglycine Copper Complexes

Corresponding author: Hongliang Han, hanhongliang@cnu.edu.cn

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

数字化技术在顺(反)式二甘氨酸合铜配合物制备实验中的应用与创新设计

通讯作者: 韩洪亮，E-mail:hanhongliang@cnu.edu.cn

English

Application and Innovative Design of Digital Technology in the Preparation Experiment of Cis(Trans)-Diglycine Copper Complexes

Corresponding author: Hongliang Han, hanhongliang@cnu.edu.cn

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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