红外光谱吸收峰的剥离和模拟  

Exfoliation and Simulation of IR Spectra Peaks

作　　者：卢嘉春[1] 黄萍[1] 陈广宇[1] 许启初[1] 

机构地区：[1]西北核技术研究所,西安市69信箱17分箱710024

出　　处：《光谱实验室》2000年第4期396-399,共4页Chinese Journal of Spectroscopy Laboratory

摘　　要：本文运用计算机模拟技术对红外谱图进行吸收峰的剥离和模拟 ,用 VB语言编制了吸收峰的剥离程序 ,并用实验谱图对所编程序进行了检测。得到了从谱图直接读峰和模拟所得峰位一致的结果 ,且模拟谱可以得到更为详尽的吸收峰信息 ,如弱强度吸收峰及重叠峰等。验证了剥离程序的可靠性 。The exfoliation and simulation of IR spectra peaks were studied with the help of computer simulation technology.A practical program used for exfoliation of spectra was compiled in VB language.It was applied exfoliate and simulate the experimental spectra.The results show the simulation spectrum is corresponding to the experimental one.Much more information such as intensity,half width,weak peaks and overlap peaks also can be obtained.The analysis of spectra and structures of compounds become more convenient.

关 键 词：红外谱图 模拟 剥离 VB语言 吸收峰 计算机技术 

分 类 号：O657.33[理学—分析化学] TP399[理学—化学]