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Acta Optica Sinica, Volume. 45, Issue 7, 0730001(2025)

Terahertz Spectroscopy of Vanillic Acid and Its Isomers

Zhuanping Zheng*... Jing Huang, Bo Wang, Shuaiyu Zhao and Jiewei Jiang |Show fewer author(s)
Author Affiliations
  • School of Electronic Engineering, Xi’an University of Posts & Telecommunication, Xi’an 710121, Shaanxi , China
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    AbstractGet PDF(in Chinese)
    Figures&Tables (10)
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    References (23)
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    Figures & Tables(10)
    Molecular structures of HVA and 5-MeOSA. (a) HVA;(b) 5-MeOSA

    Fig. 1. Molecular structures of HVA and 5-MeOSA. (a) HVA;(b) 5-MeOSA

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    THz absorption spectra of HVA and 5-MeOSA

    Fig. 2. THz absorption spectra of HVA and 5-MeOSA

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    Experimental THz absorption spectra and theoretical spectra of HVA and 5-MeOSA. (a) HVA; (b) 5-MeOSA

    Fig. 3. Experimental THz absorption spectra and theoretical spectra of HVA and 5-MeOSA. (a) HVA; (b) 5-MeOSA

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    Vibrational modes of HVA at 1.03, 1.62, 1.81, 2.22, 2.55, and 3.04 THz. (a) 1.03 THz; (b) 1.62 THz; (c) 1.81 THz;

    Fig. 4. Vibrational modes of HVA at 1.03, 1.62, 1.81, 2.22, 2.55, and 3.04 THz. (a) 1.03 THz; (b) 1.62 THz; (c) 1.81 THz;

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    Vibrational modes of 5-MeOSA at 1.37, 1.46, 2.08,and 3.25 THz. (a) 1.37 THz; (b) 1.46 THz; (c) 2.08 THz; (d) 3.25 THz

    Fig. 5. Vibrational modes of 5-MeOSA at 1.37, 1.46, 2.08,and 3.25 THz. (a) 1.37 THz; (b) 1.46 THz; (c) 2.08 THz; (d) 3.25 THz

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    Total binding energy atomic coloring diagram and dispersion atomic coloring diagram of HVA. (a) Total binding energy atomic coloring diagram; (b) dispersion atomic coloring diagram

    Fig. 6. Total binding energy atomic coloring diagram and dispersion atomic coloring diagram of HVA. (a) Total binding energy atomic coloring diagram; (b) dispersion atomic coloring diagram

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    Total binding energy atomic coloring diagram and dispersion atomic coloring diagram of 5-MeOSA. (a) Total binding energy atomic coloring diagram; (b) dispersion atomic coloring diagram

    Fig. 7. Total binding energy atomic coloring diagram and dispersion atomic coloring diagram of 5-MeOSA. (a) Total binding energy atomic coloring diagram; (b) dispersion atomic coloring diagram

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    • Table 1. Assignment of absorption peaks of HVA and 5-MeOSA to their corresponding vibrational modes

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      Table 1. Assignment of absorption peaks of HVA and 5-MeOSA to their corresponding vibrational modes

      SampleExperimental absorption peakCalculated absorption peak

      Vibrational mode

      assignment

      		Mode attribution
      HVA1.101.03τ O21C31C25C30 （8.1）ν （8.0）； δ （24.3）； γ （5.9）； τ （61.9）
      δ C11O1H13 （-6.5）
      1.631.62τ H33O21C31O22 （-14.7）ν （8.7）； δ （10.8）； γ （11.2）； τ （69.3）
      τ H33O21C31C25 （12.8）
      τ O23C27C26C25 （-6.7）
      1.761.81γ O41C51O42C45 （-7.0）ν （2.9）； δ （3.7）； γ （20.1）； τ （73.3）
      2.192.22δ O43C47C46 （-10.6）ν （12.1）； δ （48.2）； γ （5.6）； τ（34.1）
      δ O47C43C52 （-9.1）
      δ O45C46C47 （7.5）
      2.592.55τ O42C51C45C46 （12.6）ν （4.3）； δ （4.6）； γ （12.5）； τ （78.6）
      3.083.04τ O24C28C29C30 （7.9）ν （2.7）； δ （5.4）； γ （15.1）； τ （76.8）
      τ O21C31C25C30 （-7.6）
      γ O44C48C47C49 （-7.2）
      5-MeOSA1.301.37τ H46C45C47O60 （-11.2）ν （4.3）； δ （8.5）； γ （18.5）； τ （68.7）
      γ C45C47C48O60 （-9.3）
      1.491.46-ν （11.2）； δ （21.0）； γ （9.2）； τ （58.6）
      2.202.08-ν （5.6）； δ （14.1）； γ （15.2）； τ （65.1）
      3.243.25τ C42C41C50O55 （-7.3）ν （0.2）； δ （2.3）； γ （24.0）； τ （73.5）
      τ C8C1C2O18 （-7.1）
      τ C8C1C10O15 （-6.4）

    • Table 2. Interaction energy components of HVA fragments

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      Table 2. Interaction energy components of HVA fragments

      Fragment

      Electrostatic

      attraction

      		RepulsionDispersionTotal
      Flag1-Flag2-12.7828.93-35.70-19.56
      Flag1-Flag3-0.1112.01-16.78-4.88
      Flag1-Flag4-11.5852.18-83.47-42.87
      Flag2-Flag3-7.6447.68-80.88-40.84
      Flag2-Flag41.570.04-2.15-0.54
      Flag3-Flag4-33.9327.93-24.65-30.64

    • Table 3. Interaction energy components of 5-MeOSA fragments

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      Table 3. Interaction energy components of 5-MeOSA fragments

      Fragment

      Electrostatic

      attraction

      		RepulsionDispersionTotal
      Flag1-Flag2-2.828.59-10.37-4.60
      Flag 1-Flag30.910-0.240.67
      Flag1-Flag4-24.4423.15-23.36-24.65
      Flag2-Flag3-24.5423.12-23.35-24.77
      Flag2-Flag4-0.090-0.20-0.28
      Flag3-Flag4-2.848.55-10.34-4.63
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    Zhuanping Zheng, Jing Huang, Bo Wang, Shuaiyu Zhao, Jiewei Jiang. Terahertz Spectroscopy of Vanillic Acid and Its Isomers[J]. Acta Optica Sinica, 2025, 45(7): 0730001

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    Paper Information

    Category: Spectroscopy

    Received: Dec. 5, 2024

    Accepted: Feb. 10, 2025

    Published Online: Apr. 27, 2025

    The Author Email: Zhuanping Zheng (zhenzhuanp@xupt.edu.cn)

    DOI:10.3788/AOS241847

    CSTR:32393.14.AOS241847

    Topics

    laser devices and laser physics
    Lasers and Laser Optics
    Laser physics
    laser manufacturing
    Instrumentation, Measurement and Metrology