Comparative Analysis of Hydrogen–Tetrel and Halogen–Halogen Interactions in Halogen-Substituted Phosphinothioformamide–COX <sub>2</sub> Complexes: A Multilevel Theoretical Study
is accompanied by a shift in the dominant orbital interaction character from hydrogen bonding to halogen bonding. Overall, the results of this study highlight halogen substitution as a key strategy for selectively tuning stability and binding motifs in molecular systems governed by noncovalent interactions.
Authors
- Mohammadmehdi Moradkhani (ORCID: https://orcid.org/0000-0001-8568-2191)
- Yunes Abbasi Tyula (ORCID: https://orcid.org/0000-0001-8705-1967)
- Yosra Moradkhani
Institutions
- Ilam University (IR)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2026-04-07
- DOI
- https://doi.org/10.1021/acs.jpca.5c07813
- Primary Topic
- Crystallography and molecular interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Ilam University