对过碳酸根离子结构问题的探讨  

A discussion about the structures of percarbonate ion

作　　者：程学礼[1] 

机构地区：[1]泰山学院化学系,山东泰安271021

出　　处：《泰山学院学报》2007年第3期98-101,共4页Journal of Taishan University

摘　　要：本文用Gaussian98程序优化了CO42-所有可能的几何构型,并用能量分析、振动模式分析和电子布居分析研究了含过氧键的CO42-的结构,进而分析了与过碳酸钠固体结构的关系.In this paper, all possible geometries of CO^2-4 have been optimized with Gaussian98 package, subsequently, the energy analysis, vibrational analysis and electron population analysis were employed to investigate the structures of CO^2-4 ion with peroxide bonds, and the relationship with sodium percarbonate cry. stals was discussed

关 键 词：过碳酸根离子 振动模式分析 电子布居分析 

分 类 号：O611.6[理学—无机化学]