Spectroscopy and Spectral Analysis, Volume. 41, Issue 12, 3660(2021)

Terahertz Time-Domain Spectral Study of Paracetamol

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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    Figures & Tables(8)
    The molecular structure (a) and crystal cell (b) of paracetamol
    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
    The experimental and solid-state calculated spectra of paracetamol
    The four vibrational modes of paracetamol
    The THz spectra of paracetamol sample (a) and its commercial tablets (b)
    • Table 1. Sample number and thickness

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      Table 1. Sample number and thickness

      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 2. The experimental and theoretical results of paracetamol

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      Table 2. The experimental and theoretical results of paracetamol

      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
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    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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    Paper Information

    Category: Research Articles

    Received: Nov. 13, 2020

    Accepted: --

    Published Online: Dec. 17, 2021

    The Author Email: Zhuan-ping ZHENG (zhengzhuanp@xupt.edu.cn)

    DOI:10.3964/j.issn.1000-0593(2021)12-3660-05

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