Journal
ORGANIC LETTERS
Volume 7, Issue 18, Pages 3949-3952Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ol0514247
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The gas-phase proton affinity of the N-heterocyclic carbene, 1-ethyl-3-methylimidazol-2-ylidene, was determined to be 251.3 +/- 4 kcal/mol using the kinetic method, a value which makes the carbene one of the strongest bases reported thus far. Density functional theory calculations have been carried out at the B3LYP/6-31 +G(d) level to compare the high experimental value with that estimated theoretically. Experimental results also show that two other N-heterocyclic carbenes with larger substituents have even higher proton affinities.
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