Pnictogen Interaction Promotes Nitric Oxide (NO) Release via the NO 2 Roaming Mechanism in 2-Nitropyridine
Abstract
The role of the intramolecular N···N pnictogen interaction in the NO 2 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 2 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 1 manifold, reveals that an intramolecular N···N pnictogen interaction between the nitrogen atom of the pyridine and the NO 2 moiety in 2-nitropyridine favors the NO 2 roaming pathway over the oxaziridine pathway.
Fields of Study & Subjects
Nitric Oxide and Endothelin Effects
Crystallography and molecular interactions
Energetic Materials and Combustion
Publication details
- Journal / source
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Volume
- 148
- Issue
- 2
- Pages
- 2114–2118
- Publication date
- 5 January 2026
- Language
- EN