Vibrational Spectra of Berberine and Their Interpretation by Means of DFT Quantum-mechanical Calculations


  • N. Bashmakova Taras Shevchenko National University of Kyiv
  • S. Kutovyy Taras Shevchenko National University of Kyiv
  • R. Zhurakivsky Institute of Molecular Biology and Genetics, Nat. Acad. of Sci. of Ukraine
  • D. Hovorun Institute of High Technologies, Taras Shevchenko National University of Kyiv
  • V. Yashchuk Taras Shevchenko National University of Kyiv





Experimental vibrational spectra (Raman and infrared absorption) of berberine are obtained at room temperature. The vibrational
spectra of berberine are calculated by the DFT method at the B3LYP/6-311++G(d,p) level. Based on the correlation between experimental and calculated data, the vibrational spectrum is interpreted in the frequency range of 800–1700 cm–1 in detail. The experimental and calculated spectra of intramolecular vibrations are found to correlate closely.


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How to Cite

Bashmakova Н., Kutovyy С., Zhurakivsky Р., Hovorun Д., & Yashchuk В. (2022). Vibrational Spectra of Berberine and Their Interpretation by Means of DFT Quantum-mechanical Calculations. Ukrainian Journal of Physics, 56(2), 130.



Optics, lasers, and quantum electronics

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