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thermodynamic/kinetic control in the isomerization of the [[tBuNP(mu-NtBu)]2]2- ion |
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| Authors: | Bond Andrew D Doyle Emma L García Felipe Kowenicki Richard A Moncrieff David McPartlin Mary Riera Lucía Woods Anthony D Wright Dominic S |
| Affiliation: | Chemistry Department, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. |
| Abstract: | The unique structure of [(tBuN)(2)PK]( infinity ) (2) (containing [(tBuN)(2)P](-) monoanions) is in stark contrast to the previously reported Li(+) analogue [[[tBuNP(mu-NtBu)](2)](2)]Li(4) (1) (containing the dimeric [[tBuNP(mu-NtBu)](2)](2-) ion). DFT and (31)P NMR spectroscopic studies reveal that the formation of the monoanion arrangements are most thermodyamically favored for Li, Na, and K, 1 being the product of kinetic control and 2 being the product of thermodynamic control. |
| Keywords: | density functional calculations lithium phosphazane potassium sodium |
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