Pnictogen Interaction Promotes Nitric Oxide (NO) Release via the NO <sub>2</sub> Roaming Mechanism in 2-Nitropyridine
The role of the intramolecular N···N pnictogen interaction in the NO<sub>2</sub> roaming mediated nitric oxide (NO) release in 2-nitropyridine is demonstrated. The dominance of the slow NO translational energy component over the corresponding fast component suggests that the NO<sub>2</sub> roaming pathway for the NO release is favored in 2-nitropyridine, in contrast to nitrobenzene and 3-nitropyridine. The topography of a two-dimensional potential energy surface constructed using C-N (breaking) and C-O (forming) bonds as internal coordinates, in the T<sub>1</sub> manifold, reveals that an intramolecular N···N pnictogen interaction between the nitrogen atom of the pyridine and the NO<sub>2</sub> moiety in 2-nitropyridine favors the NO<sub>2</sub> roaming pathway over the oxaziridine pathway.
Authors
- Prahlad Roy Chowdhury (ORCID: https://orcid.org/0000-0003-0293-2680)
- Monali Kawade (ORCID: https://orcid.org/0000-0001-7343-5951)
- Sumitra Singh (ORCID: https://orcid.org/0000-0001-5106-4520)
- G. Naresh Patwari
Institutions
- Indian Institute of Technology Bombay (IN)
Publication Details
- Journal
- Journal of the American Chemical Society
- Published
- 2026-01-05
- DOI
- https://doi.org/10.1021/jacs.5c20000
- Primary Topic
- Nitric Oxide and Endothelin Effects
- Type
- article
- Field-Weighted Citation Impact
- 0.00