Description
Title: Characterization, Molecular Properties, and RDG Analysis of the Essential Oil of Aethionema Sancakense: An Experimental and Theoretical Study
Abstract: The plant Aethionema sancakense, which was identified as a new species and whose essential oil and fatty acid compositions were characterized by GC/GC-MS technique, will be experimentally and theoretically examined in this study. The major essential oil constituents of the aerial part structures of A. sancakense were discovered to be linoleic acid (23.1%), -humulene (19.8%), camphene (13.9%), and heptanal (9.7%). These four molecules, which are crucial to this plant, were subjected to quantum chemical calculations using the density functional method (DFT)/B3LYP with the 6-31 G (d, p) basis set in the ground state for the gas phase. The main chemical components of Aethionema sancakense essential oil were calculated, and their molecular structures, HOMO-LUMO energies, electronic characteristics, Fukui functions, and molecular electrostatic potential (MEP) surfaces were interpreted. The non-covalent interactions within these molecules were then determined by performing an RDG-NCI analysis on them.
Keywords: Aethionema sancakense; linoleic acid; -humulene; camphene; heptanal; DFT
Paper Quality: SCOPUS / Web of Science Level Research Paper
Subject: Chemistry
Writer Experience: 20+ Years
Plagiarism Report: Turnitin Plagiarism Report will be less than 10%
Restriction: Only one author may purchase a single paper. The paper will then indicate that it is out of stock.
What will I get after the purchase?
A turnitin plagiarism report of less than 10% in a pdf file and a full research paper in a word document.
In case you have any questions related to this research paper, please feel free to call/ WhatsApp on +919726999915
Reviews
There are no reviews yet.