Skip navigation
Skip navigation

Metal-Metal Bonding in Trinuclear, Mixed-Valence [Ti3X12]4- (X = F, Cl, Br, I) Face-Shared Complexes

Hewage, Jinasena W.; Cavigliasso, German; Stranger, Robert

Description

Metal-metal bonding in structurally characterized In4Ti3Br12, comprising linear, mixed-valence d1d2d1 face-shared [Ti3Br12]4- units with a Ti-Ti separation of 3.087 Å and strong antiferromagnetic coupling (Θ = -1216 K), has been investigated using density functional theory. The antiferromagnetic configuration, in which the single d electron on each terminal TiIII (d1) metal center is aligned antiparallel to the two electrons occupying the central TiII (d2) metal site, is shown to best agree...[Show more]

CollectionsANU Research Publications
Date published: 2015
Type: Journal article
URI: http://hdl.handle.net/1885/98682
Source: Inorganic Chemistry
DOI: 10.1021/acs.inorgchem.5b01435

Download

File Description SizeFormat Image
01_Hewage_Metal-Metal_Bonding_in_2015.pdf158.77 kBAdobe PDF    Request a copy
02_Hewage_Metal-Metal_Bonding_in_2015.pdf1.08 MBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  27 November 2018/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator