NO binds to unsaturated Os(IV) polyhydrides as a redox reagent期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

NO binds to unsaturated Os(IV) polyhydrides as a redox reagent

Authors:	Joo-Ho Lee

Affiliation:	Department of Chemistry, Indiana University, Bloomington, IN, United States

Abstract:	Reaction of Os(H)₃ClL₂(LPⁱPr₃) with equimolar NO occurs via a detectable paramagnetic species, to form OsCl(NO)L₂ + H₂, then Os(H)₂Cl(NO)L₂, together with the product of halogen transfer, OsHCl₂(NO)L₂. For comparison, equimolar NO and the dichloride Os(H)₂Cl₂L₂ react to give OsHCl₂(NO)L₂. DFT(PBE) calculations on potential radical intermediates reveal cases where spin density is on NO (vs. on Os), and show how coordinated H₂ can lead to the observed halogen transfer.

Keywords:	Radical Nitrosyl Spin densities Nitroxyl H atom abstraction Redox
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