Theoretical study of the dependence on substrate of the reactivity of carbenes

Miguel Moreno; Jose M. Lluch; Antonio Oliva; Juan Bertran

doi:10.1039/P29860000183

Theoretical study of the dependence on substrate of the reactivity of carbenes

Miguel Moreno, Jose M. Lluch, Antonio Oliva, Juan Bertran

Research output: Contribution to journal › Article › Research › peer-review

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Abstract

The transition states for the addition of C(OH)<inf>2</inf> and C(NH<inf>2</inf>)<inf>2</inf> to ethylene, hydroxyethylene, and acrolein have been located, using the STO-3G basis set, in order to examine the philicity of both carbenes. It is shown that C(NH<inf>2</inf>)<inf>2</inf> can be classified as a nucleophile and C(OH)<inf>2</inf> as an ambiphile. The degree of validity of this classification is discussed.

Original language	English
Pages (from-to)	183-185
Journal	Journal of the Chemical Society, Perkin Transactions 2
Volume	0
Issue number	1
DOIs	https://doi.org/10.1039/P29860000183
Publication status	Published - 1 Jan 1986

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Moreno, M., Lluch, J. M., Oliva, A., & Bertran, J. (1986). Theoretical study of the dependence on substrate of the reactivity of carbenes. Journal of the Chemical Society, Perkin Transactions 2, 0(1), 183-185. https://doi.org/10.1039/P29860000183

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abstract = "The transition states for the addition of C(OH)2 and C(NH2)2 to ethylene, hydroxyethylene, and acrolein have been located, using the STO-3G basis set, in order to examine the philicity of both carbenes. It is shown that C(NH2)2 can be classified as a nucleophile and C(OH)2 as an ambiphile. The degree of validity of this classification is discussed.",

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AB - The transition states for the addition of C(OH)2 and C(NH2)2 to ethylene, hydroxyethylene, and acrolein have been located, using the STO-3G basis set, in order to examine the philicity of both carbenes. It is shown that C(NH2)2 can be classified as a nucleophile and C(OH)2 as an ambiphile. The degree of validity of this classification is discussed.

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