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Redox-Induced Formation and Cleavage of O-O Bonds in a Peroxo-Bridged Manganese Dimer: a Density Functional Study

McGrady, John Ewart; Stranger, Robert

Description

The structural and electronic consequences of reduction and oxidation of a peroxo-bridged Mn2IV/IV dimer, Mn2(μ-O)2(μ-O2)(NH3) 62+, are examined using approximate density functional theory. In both cases, the initial electron-transfer step is localized

dc.contributor.authorMcGrady, John Ewart
dc.contributor.authorStranger, Robert
dc.date.accessioned2015-12-13T23:23:58Z
dc.identifier.issn0020-1669
dc.identifier.urihttp://hdl.handle.net/1885/92016
dc.description.abstractThe structural and electronic consequences of reduction and oxidation of a peroxo-bridged Mn2IV/IV dimer, Mn2(μ-O)2(μ-O2)(NH3) 62+, are examined using approximate density functional theory. In both cases, the initial electron-transfer step is localized
dc.publisherAmerican Chemical Society
dc.sourceInorganic Chemistry
dc.titleRedox-Induced Formation and Cleavage of O-O Bonds in a Peroxo-Bridged Manganese Dimer: a Density Functional Study
dc.typeJournal article
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.citationvolume38
dc.date.issued1999
local.identifier.absfor030207 - Transition Metal Chemistry
local.identifier.ariespublicationMigratedxPub22967
local.type.statusPublished Version
local.contributor.affiliationMcGrady, John Ewart, University of York
local.contributor.affiliationStranger, Robert, College of Physical and Mathematical Sciences, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.startpage550
local.bibliographicCitation.lastpage558
dc.date.updated2015-12-12T09:18:43Z
local.identifier.scopusID2-s2.0-0001395087
CollectionsANU Research Publications

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