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

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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.

Idioma original	Anglès
Pàgines (de-a)	183-185
Revista	Journal of the Chemical Society, Perkin Transactions 2 (2001)
Volum	0
Número	1
DOIs	https://doi.org/10.1039/P29860000183
Estat de la publicació	Publicada - 1 de gen. 1986

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10.1039/P29860000183

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title = "Theoretical study of the dependence on substrate of the reactivity of carbenes",

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.",

author = "Miguel Moreno and Lluch, {Jose M.} and Antonio Oliva and Juan Bertran",

year = "1986",

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doi = "10.1039/P29860000183",

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TY - JOUR

T1 - Theoretical study of the dependence on substrate of the reactivity of carbenes

AU - Moreno, Miguel

AU - Lluch, Jose M.

AU - Oliva, Antonio

AU - Bertran, Juan

PY - 1986/1/1

Y1 - 1986/1/1

N2 - 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.

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.

U2 - 10.1039/P29860000183

DO - 10.1039/P29860000183

M3 - Article

SN - 1472-779X

VL - 0

SP - 183

EP - 185

JO - Journal of the Chemical Society, Perkin Transactions 2 (2001)

JF - Journal of the Chemical Society, Perkin Transactions 2 (2001)

IS - 1

ER -

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

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