1-氯-2,2,2-三氟乙基二氟甲基醚红外光谱研究  

Study on the Infrared Spectroscopy of 1-Chloro-2,2,2-trifluoroethyl Difluoromethyl Ether

作　　者：于宏伟[1] 李吉纳 陈新乐 郭雪纯 马思怡 董妍 杨若冰 YU Hongwei;LI Jina;CHEN Xinle;GUO Xuechun;MA Siyi;DONG Yan;YANG Ruobing(School of Chemical Enginerring,Shijiazhuang University,Shijiazhuang 050035,China)

机构地区：[1]石家庄学院化工学院,河北石家庄050035

出　　处：《有机氟工业》2020年第2期9-14,共6页Organo-Fluorine Industry

基　　金：河北省麻醉药技术创新中心自研项目(SG2019010);石家庄市麻醉药技术创新中心自研项目(2019);河北省应用技术大学研究会课题(JY2019011)。

摘　　要：1-氯-2,2,2-三氟乙基二氟甲基醚(以下简称异氟醚)是一类重要的吸入性麻醉剂。采用3种中红外(MIR)光谱(透射中红外(T-MIR)光谱、衰减全反射中红外(ATR-MIR)光谱、漫反射中红外(DR-MIR)光谱)和4种MIR光谱(一维MIR光谱、二阶导数MIR光谱、四阶导数MIR光谱、去卷积MIR光谱)计算方法开展了异氟醚的分子结构研究。试验发现:异氟醚的红外吸收模式主要包括异氟醚分子CF2不对称伸缩振动模式(νasCF2-异氟醚)、异氟醚分子CF2对称伸缩振动模式(νsCF2-异氟醚)、异氟醚分子CF3不对称伸缩振动模式(νasCF3-异氟醚)和异氟醚分子CF3对称伸缩振动模式(νsCF3-异氟醚)等。试验同时发现:3种MIR光谱中,异氟醚DR-MIR光谱质量要优于相应的ATR-MIR光谱和T-MIR光谱;而4种MIR光谱的计算方法中,异氟醚去卷积MIR光谱的谱图质量要优于相应的一维MIR光谱、二阶导数MIR光谱和四阶导数MIR光谱。研究拓展了MIR光谱在重要的氟烃类化合物(异氟醚)结构研究中的应用范围。1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether(short for isoflurane) is an important inhaled anesthetics. The organic molecular structure of isoflurane was characterized by three kinds of infrared(MIR) spectroscopy(including transmission infrared(T-MIR) spectroscopy, attenuated total reflection infrared(ATR-MIR) spectroscopy and diffuse reflectance infrared(DR-MIR) spectroscopy) and four kinds of computational methods(including one-dimensional MIR spectroscopy, second derivative MIR spectroscopy, fourth derivative MIR spectroscopy and deconvolution MIR spectroscopy). There are isoflurane CF2 asymmetry stretch vibration mode(νasCF2-isoflurane), isoflurane CF2 symmetry stretch vibration mode(νsCF2-isoflurane), isoflurane CF3 asymmetry stretch vibration mode(νasCF3-isoflurane) and isoflurane CF3 symmetry stretch vibration mode(νsCF3-isoflurane). It was founded that the spectrum quality of DR-MIR spectroscopy were better than ATR-MIR spectroscopy and T-MIR spectroscopy, and the spectrum quality of deconvolution MIR spectroscopy was better than one-dimensional MIR spectroscopy, second derivative MIR spectroscopy and fourth derivative MIR spectroscopy. The paper demonstrated the key roles of MIR spectroscopy in the analysis of structure of the important hydrofluorocarbons compounds(isoflurane).

关 键 词：异氟醚 红外光谱 结构 

分 类 号：TQ223.24[化学工程—有机化工] O657.33[理学—分析化学]