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The ground state of a tetragonally compressed copper(II) complex

Bridgeman, Adam; Krausz, Elmars; Solanki, Nayan

Description

Electronic spectra, non-local density functional and cellular ligand-field calculations have been used to characterize the ligand fields and ground states of two potentially Jahn-Teller compressed CuN6 octahedra containing rigid tridentate ligands. The calculations predict that one of the systems has genuinely tetragonally compressed octahedral coordination with a high barrier to elongation. This is caused by large substituents on the ligands that prevent both dynamic effects and the adoption...[Show more]

dc.contributor.authorBridgeman, Adam
dc.contributor.authorKrausz, Elmars
dc.contributor.authorSolanki, Nayan
dc.date.accessioned2015-12-13T23:35:06Z
dc.identifier.issn0009-2614
dc.identifier.urihttp://hdl.handle.net/1885/93756
dc.description.abstractElectronic spectra, non-local density functional and cellular ligand-field calculations have been used to characterize the ligand fields and ground states of two potentially Jahn-Teller compressed CuN6 octahedra containing rigid tridentate ligands. The calculations predict that one of the systems has genuinely tetragonally compressed octahedral coordination with a high barrier to elongation. This is caused by large substituents on the ligands that prevent both dynamic effects and the adoption of the more familiar elongated shape.
dc.publisherElsevier
dc.sourceChemical Physics Letters
dc.titleThe ground state of a tetragonally compressed copper(II) complex
dc.typeJournal article
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.citationvolume314
dc.date.issued1999
local.identifier.absfor030204 - Main Group Metal Chemistry
local.identifier.ariespublicationMigratedxPub25159
local.type.statusPublished Version
local.contributor.affiliationBridgeman, Adam, University of Hull
local.contributor.affiliationKrausz, Elmars, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationSolanki, Nayan, University of Cambridge
local.description.embargo2037-12-31
local.bibliographicCitation.startpage176?181
local.identifier.doi10.1016/S0009-2614(99)01106-9
dc.date.updated2015-12-12T09:38:42Z
local.identifier.scopusID2-s2.0-0000864083
CollectionsANU Research Publications

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