Description
Title: Next-Generation QTAIM’s Use in The Cis-Effect Explanation
Abstract: The cis-effect for two families of molecules, C2X2 (X = H, F, Cl), and N2X2 (X = H, F, Cl), was explained using next-generation QTAIM (NG-QTAIM). The cis-effect is the exception rather than the rule, as we discussed. This was done by watching how the stress tensor trajectories T(s) used to sample the cis- and trans-characteristics of the U-space moved in relation to the bond critical point (BCP). The C1-C2 BCP and N1-N2 BCP were torsioned to create the T(s), which were then combined with all other possible T(s) from the bonding environment. Care was taken to fully take into account multi-reference effects during this process. Based on the relative ease of motion of the electronic charge density r, we assigned cis- and trans-characteristics to the bond-bending and bond-twisting components of the T(s) (rb). In the absence of experimental data, predictions are made and qualitative agreement is found with the available experimental data.
Keywords: QTAIM; NG-QTAIM; cis-effect; dihaloethene; dihalodiazene
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.