The mechanism of formation of molecular conformations in ethylene glycol

Authors

  • Shermatov Abubakir (Science Supervisor prof.A.Jumabaev)
  • Temurova Elmira (Science Supervisor prof.A.Jumabaev)
  • Norbutayeva Iqboloy (Science Supervisor prof.A.Jumabaev)
  • Abduvohidov Sherzod (Science Supervisor prof.A.Jumabaev)
  • Elmurzayev Oybek Samarkand State University of Uzbekistan. 2Uzbek–Finnish Pedagogical Institute

Keywords:

Conformation, interaction energy, charge distribution

Abstract

In this work, 4 different tTt, tGg', gTg' and gGg` conformations of the ethylene glycol (EG) molecule were studied using quantum chemical calculations and the method of B3LYP//6-311++G(d, p). Using the calculation, the optical and geometric parameters of the conformations were determined, and at the same time, the change in the shape of the O-H vibration band was analyzed in the conformations.

Downloads

Published

2023-12-21

Issue

Vol. 22 (2023): GSR

Section

Articles

License

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.

How to Cite

The mechanism of formation of molecular conformations in ethylene glycol. (2023). Global Scientific Review, 22, 256-261. https://scienticreview.com/index.php/gsr/article/view/337