Scission of Carbon Monoxide Using TaR 3 , R=(N( t Bu)Ph) or OSi( t Bu) 3 : A DFT Investigation
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]
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|Source:||Chemistry, A European Journal|
|01_Brookes_Scission_of_Carbon_Monoxide_2010.pdf||854.36 kB||Adobe PDF||Request a copy|
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