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 CO3 functional group (2 ν■), the combined frequency (ν■ + ν■) of the asymmetric stretching vibration mode of CO3 functional group (ν■) and the symmetric stretching vibration mode of CO3 functional group (ν■), the combined frequency (ν■ + β■) of the symmetric stretching vibration mode of CO3, functional group (ν■) and the in-plane bending vibration mode of CO3 functional group (β■), the asymmetric stretching vibration mode of CO3 functional group (ν■), the symmetric stretching vibration mode of CO3 functional group (ν■), CO3 functional group out of plane bending vibration mode (r■), and CO3 functional group in-plane bending vibration mode (β■). 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.
王晨屹，王亚豪，安晓阳，吉一帆，牛泽坤，李穆婵，杨珊珊，周萌萌. 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[J]. 煤炭与化工, 2025, 48(4): 152-160.
Wang Chenyi, Wang Yahao, An Xiaoyang, Ji Yifan, Niu Zekun,. Study on the structure of important inorganic salts in green fine organic synthesis experiments——A case study of calcium carbonate molecular. CCI, 2025, 48(4): 152-160.
