Molecular Geometry Analysis of Glyceryl Tripalmitate

Authors

  • Fernando Nainggolan Politeknik Teknologi Kimia Industri

DOI:

https://doi.org/10.68115/reprokimia.v2i2.126

Keywords:

DFT, Glyceryl tripalmitate, 6-31G, B3LYP

Abstract

Analysis of the structure of organic molecules can be carried out through computational quantum chemistry. In this study, I carried out quantum chemistry calculations using the density functional method to study the properties of the glyceryl tripalmitate molecule. DFT calculations were calculated using the hybrid function B3LYP at 6-31G* level. The geometric structure of the glyceryl tripalmitate molecule has an energy gap of 7.638 eV. The wavelength absorption that occurs in the glyceryl tripalmitate molecule is in the 165 nm and 208 nm region with electronic excitation contributing to π to π* orbital interactions.

Keywords: DFT, Glyceryl tripalmitate, B3LYP, 6-31G*

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Published

2023-12-22

How to Cite

Nainggolan, F. (2023). Molecular Geometry Analysis of Glyceryl Tripalmitate. Jurnal Rekayasa, Teknologi Proses Dan Sains Kimia (REPROKIMIA), 2(2), 18–28. https://doi.org/10.68115/reprokimia.v2i2.126

Issue

Vol. 2 No. 2 (2023): Desember : Jurnal Rekayasa, Teknologi Proses dan Sains Kimia

Section

Volume 2 No 2 Tahun 2023

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