绿色精细有机合成实验中重要无机盐结构研究——以碳酸钙分子为例  

Study on the structure of important inorganic salts in green fine organic synthesis experiments——A case study of calcium carbonate molecular

作　　者：王晨屹 王亚豪 安晓阳 吉一帆 牛泽坤 李穆婵 杨珊珊 周萌萌 Wang Chenyi;Wang Yahao;An Xiaoyang;Ji Yifan;Niu Zekun;Li Muchan;Yang Shanshan;Zhou Mengmeng(Shijiazhuang University College of Chemical Technology,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：《煤炭与化工》2025年第4期152-160,共9页Coal and Chemical Industry

基　　金：河北省应用技术大学研究会课题(JY2024207);石家庄学院博士科研启动基金项目(23BS003);石家庄学院大学生创新创业训练计划项目(SCXM0505);石家庄学院大学生创新训练计划项目(SCXM0492)。

摘　　要：探索碳酸钙分子结构。开展了碳酸钙分子结构中红外(MIR)光谱组学(包括:一维MIR光谱、二阶导数MIR光谱、四阶导数MIR光谱及退卷积MIR光谱)实验。结果发现,碳酸钙分子结构的红外吸收模式包括:CO_(3)官能团不对称伸缩振动模式的一级倍频峰(2ν_(asCO_(3-退卷积)))、CO_(3)官能团不对称伸缩振动模式(ν_(asCO_(3-退卷积)))和CO_(3)官能团对称伸缩振动模式(ν_(sCO_(3-退卷积)))的合频(ν_(asCO_(3-退卷积))+ν_(sCO_(3-退卷积)));CO_(3)官能团对称伸缩振动模式(ν_(sCO_(3-退卷积)))和碳酸钙分子CO_(3)官能团面内弯曲振动模式(β_(CO_(3-退卷积)))的合频(ν_(sCO_(3-退卷积))+β_(CO_(3-退卷积)));CO_(3)官能团不对称伸缩振动模式(ν_(asCO_(3-退卷积)))、CO_(3)官能团对称伸缩振动模式(ν_(sCO_(3-退卷积)))、CO_(3)官能团面外弯曲振动模式(r_(CO_(3-退卷积)))和CO_(3)官能团面内弯曲振动模式(β_(CO_(3-退卷积)))。碳酸钙分子结构退卷积MIR光谱的谱图分辨能力要优于一维MIR光谱、二阶导数MIR光谱及四阶导数MIR光谱。MIR光谱组学可以快速开展碳酸钙分子结构研究。The molecular structure of calcium carbonate was explored.The mid infrared(MIR)spectroscopy groups experiments on the molecular structure of calcium carbonate(including one-dimensional MIR spectroscopy,second-order derivative MIR spectroscopy,fourth-order derivative MIR spectroscopy and deconvolution MIR spectroscopy)was conducted.The results showed that the infrared absorption modes of the molecular structure of calcium carbonate include:one-level frequency doubling peak of the asymmetric stretching vibration mode of CO_(3) functional group(2ν_(asCO_(3-deconvolution))),the combined frequency(ν_(asCO_(3-deconvolution))+ν_(sCO_(3-deconvolution)))of the asymmetric stretching vibration mode of CO_(3) functional group(ν_(asCO_(3-deconvolution)))and the symmetric stretching vibration mode of CO_(3) functional group(ν_(sCO_(3-deconvolution))),the combined frequency(ν_(sCO_(3-deconvolution))+β_(CO_(3-deconvolution)))of the symmetric stretching vibration mode of CO_(3),functional group(ν_(sCO_(3-deconvolution)))and the in-plane bending vibration mode of CO_(3) functional group(β_(CO_(3-deconvolution))),the asymmetric stretching vibration mode of CO_(3) functional group(ν_(asCO_(3-deconvolution))),the symmetric stretching vibration mode of CO_(3) functional group(ν_(sCO_(3-deconvolution))),CO_(3) functional group out of plane bending vibration mode(r_(CO_(3-deconvolution))),and CO_(3) functional group in-plane bending vibration mode(β_(CO_(3-deconvolution))).The spectral resolution of deconvolution MIR spectroscopy of calcium carbonate molecular structure is superior to one dimensional MIR spectroscopy,second derivative MIR spectroscopy,and fourth derivative MIR spectroscopy.MIR spectroscopy can quickly conduct research on the molecular structure of calcium carbonate.

关 键 词：碳酸钙 结构 一维中红外光谱 二阶导数中红外光谱 四阶导数中红外光谱 退卷积中红外光谱 

分 类 号：O657.33[理学—分析化学]