Spectroscopic Properties Determination of Flavonol by Quantum Anaysis

Home Page
About
Submit A Journal
Submit A Conference
Submit Paper/Book
- Submit a Preprint
- Submit a Book
Contact

Journal of Physical Chemistry and Functional Materials
Volume:3 Issue:2
Spectroscopic Properties Determination of Flavonol by Quantum Anaysis

Spectroscopic Properties Determination of Flavonol by Quantum Anaysis

Authors : İbrahim ISAH NASİDİ

Pages : 36-40

View : 21 | Download : 11

Publication Date : 2020-12-06

Article Type : Research Paper

Abstract :Computational quantum theory methods especially Hertree-Fock insert ignore into journalissuearticles values(HF); and Density functional theory insert ignore into journalissuearticles values(DFT); plays an important role in physical chemistry and theoretical physics. Flavonoids are a class of polyphenolic secondary metabolites found in plants, and thus commonly consumed in diets, that is why it is important to understand its stability, reactivity and structure analysis. In this study, we optimize the energy band gaps using different basis sets for both DFT and HF methods. LanL2MB at DFT method was selected for the molecule. IR, NMR and UV were also investigated during the research.
Keywords : Flavonols, Band gap energy, DFT, Hartree Fock Theory

ORIGINAL ARTICLE URL

VIEW PAPER (PDF)

* There may have been changes in the journal, article,conference, book, preprint etc. informations. Therefore, it would be appropriate to follow the information on the official page of the source. The information here is shared for informational purposes. IAD is not responsible for incorrect or missing information.