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| Natura: | Artículo científico |
| Lingua: | en |
| Pubblicazione: |
Sociedad Química de México
2002
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| Accesso online: | https://www.redalyc.org/articulo.oa?id=47546211 |
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Sommario:
- Evidence for a Strained Cyclic Allene in the Ring Closure Reaction of Enynylketenes Mario Fernández Alejandro Ramírez Ramón Hernández Mario Ordóñez Multidisciplinaria (Ciencias Naturales y Exactas) MP2 Fock CASSCF Hartree cyclic allene We show in this paper using HF and MP2 ab initio calculationsthat the ring closure of 5 generates an intermediate best describedas the closed-shell cyclic allene 6a, instead of the usually assumeddiradical nature reported in the literature. This intermediate thengives rise to the formation of 7. The closed-shell cyclic allene natureof the lowest-lying singlet was confirmed using CASSCF calculations. 2002 artículo científico 1870-249X https://www.redalyc.org/articulo.oa?id=47546211 en http://www.redalyc.org/revista.oa?id=475 Journal of the Mexican Chemical Society application/pdf Sociedad Química de México Journal of the Mexican Chemical Society (México) Num.2 Vol.46