AI Article Synopsis
- * It reveals that the processes of bond breaking and forming are not concerted, and identifies seven stability structural domains (SSD) common across both syn and anti-approach pathways.
- * The research highlights the critical role of N-C triple and C-C double bonds in driving electron flux, leading to structural changes, with the formation of C-C sigma bonds initiating the changes before O-C bonds.
Article Abstract
This work lays out the flow of electron density taking place along four reaction pathways of 32CA reaction of acetonitrile oxide between 7-bromo-oxanorborn-5-en-2-one which has been examined in detail and in accordance with the bonding evolution theory (BET). The BET study makes apparent the non-concerted bond breaking/forming processes along each reaction pathway. The number (seven) of stability structural domains (SSD) found along the different reaction pathway through the syn and anti-approach is identical. For the both reaction pathway, the N-C triple and C-C double bonds are the main electron flux and responsible for the appearance of the fold-type catastrophe on N and C atoms. Finally, the C-C sigma bond formation corresponding to cusp catastrophe starts first and follows by the O-C one along the four different reaction pathways.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/j.jmgm.2019.107513 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!