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Oxidation State Dependence of the Geometry, Electronic Structure, and Magnetic Coupling in Mixed Oxo- and Carboxylato-Bridged Manganese Dimers

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dc.contributor.authorDelfs, Christopher
dc.contributor.authorStranger, Robert
dc.date.accessioned2015-12-13T23:35:47Z
dc.date.issued2001
dc.date.updated2015-12-12T09:41:12Z
dc.description.abstractApproximate density functional theory has been used to investigate changes in the geometry and electronic structure of the mixed oxo- and carboxylato-bridged dimers [Mn2(μ-O)2(O2CH) (NH3)6]n+ and [Mn2(μ-O)(O2CH)2 (NH3)6]n+ in the MnIVMnIV, MnIIIMnIV, an
dc.identifier.issn0020-1669
dc.identifier.urihttp://hdl.handle.net/1885/94073
dc.publisherAmerican Chemical Society
dc.sourceInorganic Chemistry
dc.subjectKeywords: dimer; manganese derivative; article; calculation; chemical reaction; chemical structure; electrochemistry; energy; geometry; magnetism; metal binding; oxidation; structure analysis; theory
dc.titleOxidation State Dependence of the Geometry, Electronic Structure, and Magnetic Coupling in Mixed Oxo- and Carboxylato-Bridged Manganese Dimers
dc.typeJournal article
local.bibliographicCitation.lastpage3076
local.bibliographicCitation.startpage3061
local.contributor.affiliationDelfs, Christopher, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationStranger, Robert, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidDelfs, Christopher, u9501065
local.contributor.authoruidStranger, Robert, u8708796
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.ariespublicationMigratedxPub25545
local.identifier.citationvolume40
local.identifier.doi10.1021/ic0008767
local.identifier.scopusID2-s2.0-0035907407
local.type.statusPublished Version

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