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Journal of Applied Spectroscopy

, Volume 85, Issue 6, pp 1143–1150 | Cite as

Terahertz Spectroscopic Investigation of Salicylic Acid and Sodium Salicylate

  • L. Ding
  • W.-H. FanEmail author
  • C. Song
  • X. Chen
  • Z.-Y. Chen
Article
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The terahertz spectra of salicylic acid and sodium salicylate are measured by broadband terahertz time-domain spectroscopy (THz-TDS). Two absorption features of salicylic acid and three characteristic features of sodium salicylate are reported for the first time. Our investigation shows that salicylic acid and sodium salicylate can be easily distinguished based on their distinctive THz spectra, which could be attributed to their intra- and intermolecular structure differences. Furthermore, solid-state density functional theory calculations reveal that the absorption features of salicylic acid mainly originate from intermolecular interactions, except for the absorption feature at 2.28 THz, while gaseous-state theory calculations show that the absorption features of sodium salicylate mainly come from intramolecular vibrations except for the absorption feature at 0.40 THz. Our investigation indicates that THz vibrational modes are highly sensitive to molecular structures and intermolecular interactions, promoting the application of THz spectroscopy in distinguishing chemicals and pharmaceuticals with similar molecular structures.

Keywords

terahertz spectrum density functional theory intermolecular interactions intramolecular vibrations 
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© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  • L. Ding
    • 1
    • 2
  • W.-H. Fan
    • 1
    Email author
  • C. Song
    • 1
    • 2
  • X. Chen
    • 1
    • 2
  • Z.-Y. Chen
    • 1
    • 2
  1. 1.State Key Laboratory of Transient Optics and Photonics, Xi’an Institute of Optics and Precision MechanicsChinese Academy of SciencesXi’anChina
  2. 2.University of Chinese Academy of SciencesBeijingChina

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