The Reactivity Of singlet carbenes. An ab initio study

Miquel Moreno; José M. Lluch; Antonio Oliva; Juan Bertrán

doi:10.1016/0301-0104(85)87021-X

The Reactivity Of singlet carbenes. An ab initio study

Miquel Moreno, José M. Lluch, Antonio Oliva, Juan Bertrán

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The energy barriers for the addition to ethylene of a series of carbenes have been calculated at an ab initio level. using the STO-3G and 3-21G basis sets. It is shown that the usual extrapolation of experiment results, which predicts that the reactivity of carbenes decreases when increasing its nucleophilic character, is not valid. © 1985.

Idioma original	Anglès
Pàgines (de-a)	33-37
Revista	Chemical Physics
Volum	100
Número	1
DOIs	https://doi.org/10.1016/0301-0104(85)87021-X
Estat de la publicació	Publicada - 15 de nov. 1985

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10.1016/0301-0104(85)87021-X

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title = "The Reactivity Of singlet carbenes. An ab initio study",

abstract = "The energy barriers for the addition to ethylene of a series of carbenes have been calculated at an ab initio level. using the STO-3G and 3-21G basis sets. It is shown that the usual extrapolation of experiment results, which predicts that the reactivity of carbenes decreases when increasing its nucleophilic character, is not valid. {\textcopyright} 1985.",

author = "Miquel Moreno and {M. Lluch}, Jos{\'e} and Antonio Oliva and Juan Bertr{\'a}n",

year = "1985",

month = nov,

day = "15",

doi = "10.1016/0301-0104(85)87021-X",

language = "English",

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journal = "Chemical Physics",

issn = "0301-0104",

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T1 - The Reactivity Of singlet carbenes. An ab initio study

AU - Moreno, Miquel

AU - M. Lluch, José

AU - Oliva, Antonio

AU - Bertrán, Juan

PY - 1985/11/15

Y1 - 1985/11/15

N2 - The energy barriers for the addition to ethylene of a series of carbenes have been calculated at an ab initio level. using the STO-3G and 3-21G basis sets. It is shown that the usual extrapolation of experiment results, which predicts that the reactivity of carbenes decreases when increasing its nucleophilic character, is not valid. © 1985.

AB - The energy barriers for the addition to ethylene of a series of carbenes have been calculated at an ab initio level. using the STO-3G and 3-21G basis sets. It is shown that the usual extrapolation of experiment results, which predicts that the reactivity of carbenes decreases when increasing its nucleophilic character, is not valid. © 1985.

U2 - 10.1016/0301-0104(85)87021-X

DO - 10.1016/0301-0104(85)87021-X

M3 - Article

SN - 0301-0104

VL - 100

SP - 33

EP - 37

JO - Chemical Physics

JF - Chemical Physics

IS - 1

ER -

The Reactivity Of singlet carbenes. An ab initio study

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