Trends in back-bonding in the series trans-[M(C�CR)Cl(PH3)4] (M = Fe, Ru, Os; R = H, Ph, C6H4NO2-4)

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dc.contributor.authorDelfs, Christopher
dc.contributor.authorStranger, Robert
dc.contributor.authorMcDonagh, Andrew
dc.contributor.authorHumphrey, Mark
dc.date.accessioned2015-12-13T23:22:07Z
dc.date.issued2000
dc.date.updated2015-12-12T09:10:02Z
dc.description.abstractThe electronic structure of the complexes trans-[M(C≡CR)Cl(PH3)4] (M = Fe, Ru, Os; R = H, Ph, C6H4NO2-4) has been investigated using approximate density functional theory in order to examine the M-C back-bonding interaction. For all three metal systems,
dc.identifier.issn0022-328X
dc.identifier.urihttp://hdl.handle.net/1885/91294
dc.publisherElsevier
dc.sourceJournal of Organometallic Chemistry
dc.subjectKeywords: Density functional theory; Metal-carbon backbonding; Relativistic effects
dc.titleTrends in back-bonding in the series trans-[M(C�CR)Cl(PH3)4] (M = Fe, Ru, Os; R = H, Ph, C6H4NO2-4)
dc.typeJournal article
local.bibliographicCitation.lastpage212
local.bibliographicCitation.startpage208
local.contributor.affiliationDelfs, Christopher, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationStranger, Robert, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationHumphrey, Mark, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationMcDonagh, Andrew, College of Physical and Mathematical Sciences, ANU
local.contributor.authoruidDelfs, Christopher, u9501065
local.contributor.authoruidStranger, Robert, u8708796
local.contributor.authoruidHumphrey, Mark, u9400918
local.contributor.authoruidMcDonagh, Andrew, u3555505
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.absfor039904 - Organometallic Chemistry
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.ariespublicationMigratedxPub21991
local.identifier.citationvolume607
local.identifier.scopusID2-s2.0-0001640186
local.type.statusPublished Version

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