These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
4 files

A Versatile New Reagent for Nitrosation under Mild Conditions

submitted on 07.02.2021, 06:00 and posted on 08.02.2021, 12:16 by Jordan D. Galloway, Cristian Sarabia, James C. Fettinger, Hrant Hratchian, Ryan Baxter
We report a new chemical reagent for transnitrosation under mild experimental conditions. This new reagent is stable to air and moisture across a broad range of temperatures, and is effective for transnitrosation in multiple solvents. Compared to traditional nitrosation methods, our reagent shows high functional group tolerance for substrates that are susceptible to oxidation or reversible transnitrosation. Several challenging nitroso-compounds are accessed here for the first time, including 15N isotopologues. X-ray data confirms two rotational isomers of the reagent are configurationally stable at room temperature, although only one isomer is effective for transnitrosation. Computational analysis describes the energetics of rotamer interconversion, including interesting geometry-dependent hybridization ef-fects.



MRI: Acquisition of Pinnacles -- Raising Research Computing to New Heights in California's Central Valley

Directorate for Computer & Information Science & Engineering

Find out more...

MRI Acquisition: Multi-Environment Research Computer for Exploration and Discovery (MERCED) Cluster

Directorate for Computer & Information Science & Engineering

Find out more...


Email Address of Submitting Author


University of California, Merced


United States

ORCID For Submitting Author


Declaration of Conflict of Interest


Usage metrics