化合物红外光谱数据可视化的几种方法  

Introduction of some methods making the infrared spectrum data of chemical compound visualized

作　　者：李林[1] 卢基林[1] 

机构地区：[1]湖南文理学院化学化工系,湖南常德415000

出　　处：《计算机与应用化学》2007年第7期963-967,共5页Computers and Applied Chemistry

基　　金：湖南省教育厅科研课题(06C571)

摘　　要：本文着重介绍如何利用常见的数学软件及其插件与分析化学软件,将含有化合物(如12-氨基十二酸)红外光谱信息的数据文件或其它特殊格式的文件作可视化处理,并编辑视图,以获得峰值标注选择性好、精确度高、可用于化合物结构解析的红外光谱图。通过本文,即可以了解到几种常用软件,用于化合物红外光谱数据可视化的过程与特点。Description focus on how to employ familiar math softwares and their Add-ons or analytical chemistry softwares to make data or other special format documents containing the information of infrared spectrum of chemical compound （ e. g. 12-Aminododecanoic Acid） visualized. Then the yielded views are edited to give the infrared spectrum figures of chemical compound in which peaks are labelled with good selectivity and high accuracy for structure characterization of chemical compound. Through this paper, we can be familiar with the general processes and characteristics of using some kinds of softwares to realize the data visualization containing the information of infrared spectrum of chemical compound.

关 键 词：红外光谱 12-氨基十二酸 数据可视化 插件 Excel 2000 ORIGIN 7.0 Sigmaplot 10.0 Matlab R14 KnowItAll 5.0 ACADEMIC EDITION 

分 类 号：O657.3[理学—分析化学] TP399[理学—化学]