Skip navigation
Skip navigation

Breaking Chemistry's Strongest Bond: Can Three-Coordinate [M{N(R)Ar} 3 ] Complexes Cleave Carbon Monoxide?

Christian, Gemma; Stranger, Robert; Petrie, Simon; Yates, Brian F; Cummins, Christopher C


The reaction pathway for the interaction of CO with three-coordinate TaIII, WIII and ReIII complexes (modelled on the experimental [M{N-(tBu)Ar}3] system) has been explored by using density functional methods. Calculations show that CO binds without a barrier to [Re(NH2)3], forming the encounter complex [OC-Re-(NH 2)3], which is stabilized by ≈ 280 kJ mol-1 relative to the reactants. The binding of [Ta(NH2)3] to the oxygen terminus of CO is inhibited by a barrier of only 20 kJ mol -1 and is...[Show more]

CollectionsANU Research Publications
Date published: 2007
Type: Journal article
Source: Chemistry, A European Journal
DOI: 10.1002/chem.200601643


File Description SizeFormat Image
01_Christian_Breaking_Chemistry's_Strongest_2007.pdf197.39 kBAdobe PDF    Request a copy

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

Updated:  17 November 2022/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator