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Dinitrogen metal complexes with a strongly activated N-N bond: a computational investigation of [(Cy 2 N) 3 Nb-(μ-NN)-Nb(NCy 2 ) 3 ] and related [Nb-(μ-NN)-Nb] systems

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dc.contributor.authorCavigliasso, German
dc.contributor.authorStranger, Robert
dc.contributor.authorYates, Brian F
dc.date.accessioned2015-12-10T23:01:35Z
dc.date.issued2012
dc.date.updated2016-02-24T10:25:24Z
dc.description.abstractThe structural and bonding properties of the dinitrogen-bridged diniobium [(Cy2N)3Nb(μ-NN)Nb(NCy2)3] complex experimentally characterized by Berno and Gambarotta, which exhibits a strongly activated N-N bond of 134 pm, have been explored using density fu
dc.identifier.issn1477-9226
dc.identifier.urihttp://hdl.handle.net/1885/61664
dc.publisherRoyal Society of Chemistry
dc.sourceDalton Transactions
dc.subjectKeywords: Bonding mechanism; Bonding property; Chemical compositions; Computational investigation; Density-functional methods; Dinitrogen; Geometric properties; Geometry optimization; Intramolecular interactions; Model complexes; Steric factor; Steric interactions;
dc.titleDinitrogen metal complexes with a strongly activated N-N bond: a computational investigation of [(Cy 2 N) 3 Nb-(μ-NN)-Nb(NCy 2 ) 3 ] and related [Nb-(μ-NN)-Nb] systems
dc.typeJournal article
local.bibliographicCitation.issue45
local.bibliographicCitation.lastpage13959
local.bibliographicCitation.startpage13948
local.contributor.affiliationCavigliasso, German, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationStranger, Robert, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationYates, Brian F, University of Tasmania
local.contributor.authoruidCavigliasso, German, u4050795
local.contributor.authoruidStranger, Robert, u8708796
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030701 - Quantum Chemistry
local.identifier.absseo970103 - Expanding Knowledge in the Chemical Sciences
local.identifier.ariespublicationu4005981xPUB629
local.identifier.citationvolume41
local.identifier.doi10.1039/C2DT31845H
local.identifier.scopusID2-s2.0-84868095066
local.identifier.thomsonID000310371500022
local.type.statusPublished Version

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