AI Article Synopsis
- The study investigates rigid molecules with close interactions between Ar-F groups and -CHX groups resembling tetrel bonds, akin to nascent S2 attacks.
- The research highlights significant effects of these interactions, such as unique spin-spin couplings, short distances between C-F and CHX, and differing reaction pathways for S1 and S2.
- DFT calculations are used to support the findings and provide deeper insights into the experimental observations related to carbon-based tetrel bonds and their impact on chemical reactivity.
Article Abstract
In this note, we present a series of rigid molecules that show close enforced interactions between Ar-F moieties and -CHX groups in a "tetrel bond" configuration similar to a nascent S2 attack. We explore the spectroscopic, crystallographic, and chemical reactivity consequences of these unusual interactions, including significant through-space spin-spin couplings, short C-F···CHX distances, and differential S1 and S2 reaction pathways. We also reveal experimental evidence of carbon-based tetrel bonds influencing chemical reactivity in solution. Finally, density functional theory (DFT) calculations are employed throughout this study to confirm and illuminate our experimental data.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/acs.joc.2c01788 | 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!