Oxidation of methane by an N-bridged high-valent diiron–oxo species: electronic structure implications on the reactivity1. Issue 34 (14th September 2015)

• Record Type: Journal Article
• Authors: Ansari, Mursaleem; Vyas, Nidhi; Ansari, Azaj; Rajaraman, Gopalan
• Is Part Of: Dalton transactions. Volume 44:Issue 34(2015)
• Page Start: 15232
• Page End: 15243
• Publication Date: 2015-09-14
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c5dt01060h
• Languages: English
• ISSNs: 1477-9226

Abstract

<abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgj2g316xds" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />Methane activation by dinuclear high-valent iron–oxo species: do we need two metals to activate such inert bonds? Our theoretical study using DFT methods where electronic structure details and mechanistic aspects are established answers this intriguing question.</p> </abstract>