浅谈轨道取向分析在共价分子构型判定中的应用  

Application of Orbital Orientation Analysis in the Determination of Covalent Molecular Configuration

作　　者：方霄龙 段宁 张钰 王韬 苏秦 FANG Xiao-long;DUAN Ning;ZHANG Yu;WANG Tao;SU Qin(School of Material and Chemical Engineering,Anhui Jianzhu University,Hefei 230601,China)

机构地区：[1]安徽建筑大学材料与化学工程学院,安徽合肥230601

出　　处：《安徽化工》2024年第4期174-176,180,共4页Anhui Chemical Industry

基　　金：安徽建筑大学质量工程项目(2021jy46,2022kcsz11);应用化学“国家一流本科专业”项目资助。

摘　　要：杂化轨道理论在判定共价分子构型方面有着重要的应用。杂化的目的之一是为了满足轨道取向的匹配,降低结构内部的排斥作用,使体系能量达到最低。以典型的碳氧化合物和氮氧化合物分子为例,阐述了轨道取向分析在共价分子构型判定中的应用。Hybrid orbital theory has important applications in the determination of covalent molecular configuration.The aim of hybridization is to match the orientation of the central atom orbitals,reduce the repulsive interaction within the structure and minimize the energy of the system.In this paper,the spatial configuration of typical carbon oxide molecules and nitrogen oxide molecules were analyzed with hybrid orbital theory to expatiate the application of orbital orientation analysis in the determination of covalent molecular configuration.

关 键 词：轨道取向分析 杂化轨道 碳氧化合物 氮氧化合物 

分 类 号：G642[文化科学—高等教育学]