Title : Computational Mechanistic Insights on the NO Oxidation Reaction Catalyzed by Non-Heme Biomimetic Cr-N-Tetramethylated Cyclam Complexes.

Pub. Date : 2019 Aug 14

PMID : 31416223






1 Functional Relationships(s)
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1 The conversion reaction of NO to NO3- ion catalyzed by the end-on [Cr(III)(n-TMC)(O2)(Cl)]+ superoxo and side-on [Cr(IV)(n-TMC)(O2)(Cl)]+ peroxo non-heme complexes (n = 12, 13, 14 and 15), which are biomimetic systems of nitric oxide dioxygenases (NODs), has been explored using a computational protocol in the framework of density functional theory. tris(1,10-phenanthroline)chromium(III) chloride NBL1, DAN family BMP antagonist Homo sapiens