Radical reactions of a stable N-heterocyclic germylene: EPR study and DFT calculation.
J Am Chem Soc
; 127(23): 8248-9, 2005 Jun 15.
Article
em En
| MEDLINE
| ID: mdl-15941234
ABSTRACT
The first radical adducts of a stable N-heterocyclic germylene were investigated. Novel radical species were produced from a variety of precursors and studied by EPR spectroscopy. DFT (B3LYP) calculations of radical adducts of different (C, Si, Ge) unsaturated N-heterocyclic divalent species with phenoxyl radical show that in the radicals studied the unpaired electron is delocalized over the five-membered ring and the spin density on the central atoms decreases in the following order C > Si > Ge. These trends can be understood in terms of zwitterionic structure of radical adducts.
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01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Am Chem Soc
Ano de publicação:
2005
Tipo de documento:
Article
País de afiliação:
Israel