Base-promoted tautomerization of imidazoles to N-heterocyclic carbenes (NHCs): Via a dinitrosyl iron scaffold

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Title:	Base-promoted tautomerization of imidazoles to N-heterocyclic carbenes (NHCs): Via a dinitrosyl iron scaffold
Authors:	Hsieh, Chung-Hung;Pulukkody, Randara;Darensbourg, Marcetta Y.
Contributors:	淡江大學化學學系
Date:	2012-08
Issue Date:	2014-03-28
Abstract:	Theor. studies of the energetics of the imidazole mol. have established that it is 29 kcal mol-1 lower in energy than its NHC tautomer, which suggests that tautomoerization to NHC is thermodynamically unfavored. Following this, a theor. investigation carried out by Crabtree et al. on the thermodn. preference for N- vs. C- coordination in imidazoles went on to show that the opposite of this is obsd. when each is bound to a soft, late transition metal complex. It was therefore concluded through this study that while first row elements prefer binding via N, second and third row elem...
Relation:	244th ACS National Meeting & Exposition, INOR-623
Appears in Collections:	[Graduate Institute & Department of Chemistry] Proceeding

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