大学化学2026，Vol.41Issue(9)：293-300,8.DOI:10.12461/PKU.DXHX202508054
从微观结构到宏观极性:实验与计算协同解析偶极矩
From microstructure to macroscopic polarity:synergistic analysis of dipole moments through experimental and computational approaches
摘要
Abstract
Addressing the limitations of conventional dipole moment experiments that prioritize operational procedures over mechanistic insights,this study presents an integrated"experimental-computational"teaching approach within the chemistry measurement experiments module of the Chemistry"101 Plan".The methodology combines classical solution-phase dipole moment measurements with quantum chemical calculations using Gaussian/GaussView software,enabling students to investigate the origin of molecular polarity,solvent effects,and conformational control through electrostatic potential(ESP)mapping and natural bond orbital(NBO)charge analysis.A progressive three-level learning framework—spanning fundamental,advanced,and innovative modules—systematically develops students'understanding of structure-property-function relationships.This approach effectively bridges experimental techniques with molecular design competencies,providing an educational model for cultivating interdisciplinary chemists with both practical skills and innovative thinking.关键词
化学"101计划"/偶极矩/计算模拟/分子设计Key words
Chemistry"101 Plan"/Dipole moment/Computational simulation/Molecular design分类
社会科学引用本文复制引用
袁汝明,张来英,徐晓明,吴平平,傅钢,任斌..从微观结构到宏观极性:实验与计算协同解析偶极矩[J].大学化学,2026,41(9):293-300,8.基金项目
教育部化学"101计划"——化学测量学实验课程建设项目 （）
教育部第三批虚拟教研室建设试点——"101计划"化学测量学实验课程虚拟教研室 （）
基础学科拔尖学生培养计划研究课题(20232024) （20232024）
