The Reactivity Of singlet carbenes. An ab initio study |
| |
Authors: | Miquel Moreno José M. Lluch Antonio Oliva Juan Bertrán |
| |
Affiliation: | Departament de Química Fisica, Universitat Aut''onoma de Barcelona, Bellaterra Barcelona, Spain |
| |
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. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |