• Spectroscopy and Spectral Analysis
  • Vol. 41, Issue 12, 3660 (2021)
Zhuan-ping ZHENG*, Ai-dong LI, Chun-yan LI, and Jun DONG
Author Affiliations
  • School of Electronic Engineering, Xi’an University of Posts and Telecommunications, Xi’an 710121, China
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    DOI: 10.3964/j.issn.1000-0593(2021)12-3660-05 Cite this Article
    Zhuan-ping ZHENG, Ai-dong LI, Chun-yan LI, Jun DONG. Terahertz Time-Domain Spectral Study of Paracetamol[J]. Spectroscopy and Spectral Analysis, 2021, 41(12): 3660 Copy Citation Text show less
    The molecular structure (a) and crystal cell (b) of paracetamol
    Fig. 1. The molecular structure (a) and crystal cell (b) of paracetamol
    The Powder XRD pattern (a) and the data previously published (b) [15] of paracetamol
    Fig. 2. The Powder XRD pattern (a) and the data previously published (b) [15] of paracetamol
    The experimental THz spectra of paracetamola: The pure sample; b: The mixed samples with the ratio of 1∶2;c: The ratio of 1∶4
    Fig. 3. The experimental THz spectra of paracetamol
    a
    : The pure sample; b: The mixed samples with the ratio of 1∶2;c: The ratio of 1∶4
    The experimental and solid-state calculated spectra of paracetamol
    Fig. 4. The experimental and solid-state calculated spectra of paracetamol
    The four vibrational modes of paracetamol
    Fig. 5. The four vibrational modes of paracetamol
    The THz spectra of paracetamol sample (a) and its commercial tablets (b)
    Fig. 6. The THz spectra of paracetamol sample (a) and its commercial tablets (b)
    样品编号厚度/mm
    纯中美史克CZR0.815
    中美史克170 ℃CER0.850
    中美史克190 ℃CNR0.690
    Table 1. Sample number and thickness
    实验计算
    THz-TDSPBE描述
    1.461.41(0.04)a绕晶胞c轴转动
    1.881.83(2.56)绕晶胞b轴转动
    1.90(4.30)绕晶胞c轴转动
    2.112.13(6.13)绕晶胞c轴转动
    2.31(0.23)绕晶胞b轴转动
    2.522.71(4.45)绕晶胞b轴转动
    2.952.30(2.68)绕晶胞c轴平动
    3.05(6.06)绕晶胞c轴平动
    3.06(4.36)—CH3官能团摆动
    3.483.37(8.04)—CH3官能团摆动
    3.52(7.60)—CH3官能团摆动
    4.274.08(9.96)—CH3官能团摆动
    4.42(5.98)—CH3官能团摆动
    Table 2. The experimental and theoretical results of paracetamol
    Zhuan-ping ZHENG, Ai-dong LI, Chun-yan LI, Jun DONG. Terahertz Time-Domain Spectral Study of Paracetamol[J]. Spectroscopy and Spectral Analysis, 2021, 41(12): 3660
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