Skip navigation
Skip navigation

Scission of Carbon Monoxide Using TaR 3 , R=(N( t Bu)Ph) or OSi( t Bu) 3 : A DFT Investigation

Brookes, Nigel J; Ariafard, Alireza; Stranger, Robert; Yates, Brian F

Description

The experimentally known reduction of carbon monoxide using a 3-coordinate [Ta(silox)3] (silox = OSi-(tBu)3) complex initially forms a ketenylidene [(silox)3Ta-CCO], followed by a dicarbide [(silox)3Ta-CC-Ta-(silox)3] structure. The mechanism for this intricate reaction has finally been revealed by using density functional theory, and importantly a likely structure for the previously unknown intermediate [(silox)3Ta-CO]2 has been identified. The analysis of the reaction pathway and the numerous...[Show more]

CollectionsANU Research Publications
Date published: 2010
Type: Journal article
URI: http://hdl.handle.net/1885/60040
Source: Chemistry, A European Journal
DOI: 10.1002/chem.200903348

Download

File Description SizeFormat Image
01_Brookes_Scission_of_Carbon_Monoxide_2010.pdf854.36 kBAdobe PDF    Request a copy


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

Updated:  20 July 2017/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator