Nitrosodisulfide [S2NO]− (perthionitrite) is a true intermediate during the “cross-talk” of nitrosyl and sulfide

Literature Information

Publication Date 2016-10-12
DOI 10.1039/C6CP06314D
Impact Factor 3.676
Authors

Juan P. Marcolongo, Uriel N. Morzan, Ari Zeida, Damián A. Scherlis, José A. Olabe


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Abstract

Nitrosodisulfide S2NO− is a controversial intermediate in the reactions of S-nitrosothiols with HS− that produce NO and HNO. QM-MM molecular dynamics simulations combined with TD-DFT analysis contribute to a clear identification of S2NO− in water, acetone and acetonitrile, accounting for the UV-Vis signatures and broadening the mechanistic picture of N/S signaling in biochemistry.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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