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Updated: Apr 5, 2026

Detection of Nitric Oxide and Superoxide Radical Anion by Electron Paramagnetic Resonance Spectroscopy from Cells using Spin Traps
Published on: August 18, 2012
A Novel Mechanism for Nitric Oxide Production in Nitroalkyl Radicals that Circumvents Nitro-Nitrite Isomerization
Ryan S Booth1, Chow-Shing Lam1, Laurie J Butler1
1The James Franck Institute and Department of Chemistry, University of Chicago, Chicago, Illinois 60637, United States.
Abstract:
In this study, we present a novel mechanism for NO loss from nitroalkyl radicals that circumvents the traditional higher-energy nitro-nitrite isomerization. We characterize the intrinsic reaction coordinate at the B3LYP/6-311++g(3df,2p) level of theory and calculate the transition-state energies using the G4 composite method; the subsequent dynamics en route to the highly exothermic NO + acetone product channel proceeds through a three-membered ring intermediate. Crossed laser-molecular beam scattering experiments on the 2-nitro-2-propyl radical confirm the importance of this new mechanism in determining the product branching.
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