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Updated: Jan 4, 2026

Extraction and Analysis of Taiwanese Green Propolis
Published on: January 7, 2019
A detailed computational investigation on the structural and spectroscopic properties of propolisbenzofuran B
1Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran.
Abstract:
This investigation deals with some structural and spectroscopic aspects of propolisbenzofuran B molecule as one of the most important bioactive molecules which exists in the bee propolis composition. FT-IR vibrational analysis carried-out at B3LYP/6-311++G(d,p) level of the theory. 1H and 13C NMR chemical shift have been predicted with GIAO method. TD- DFT calculations have been established to predict the UV- Vis spectral analysis for propolisbenzofuran B molecule. The detailed structural analysis such as electronic characterization, HOMO and LUMO, DOS plot, Molecular Electronic Potential (MEP), Natural Bond Orbital (NBO) are performed and discussed for studied molecule.
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