The Reactivity Of singlet carbenes. An ab initio study |
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Authors: | Miquel Moreno José M Lluch Antonio Oliva Juan Bertrán |
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Institution: | Departament de Química Fisica, Universitat Aut''onoma de Barcelona, Bellaterra Barcelona, Spain |
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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. |
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