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Ankur Kanti Guha, Ujjal Gogoi and Ashwini K. Phukan Revisiting the reactivity of different carbon bases: A theoretical study International Journal of Quantum Chemistry 113

Version of Record online: 11 JUN 2013 | DOI: 10.1002/qua.24485

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Quantum chemical calculations reveal that the distinction between carbon(II) and carbon(0) bases becomes blurred with the increase in π-donation abilities of carbon(II) bases. Moderate to strong π-accepting ability is a key electronic feature that may distinguish a carbene from carbone. This is reflected in the activation barrier for the addition of a nucleophile to either carbon(II) or carbon(0) base.

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