Detail publikace
Quantum chemical study of the preferential ortho-addition of phenoxyl radicals to nitroso spin-traps
PELIKÁN, P., OMELKA, L., BRUDÍKOVÁ, K., BREZA, M.
Originální název
Quantum chemical study of the preferential ortho-addition of phenoxyl radicals to nitroso spin-traps
Typ
článek v časopise - ostatní, Jost
Jazyk
angličtina
Originální abstrakt
The addition of phenoxyl radicals to aromatic nitroso compounds preferentially proceeds in the phenoxyl ortho-position. Using ab initio MP2 treatment, the mechanism of this reaction has been interpreted on the basis of electron structure analysis of phenoxyl radical, its methyl- and chloro-derivates and 2,3,5,6-tetramethyl-1-nitrosobenzene. The driving force for the abovementioned addition is the highest electron density at the carbon atom in the ortho-position of the phenoxyl radical.
Klíčová slova
EPR spectroscopy; Phenoxyl radicals; Nitroso spin-trap adducts; Ab initio MP2 calculations
Autoři
PELIKÁN, P., OMELKA, L., BRUDÍKOVÁ, K., BREZA, M.
Vydáno
9. 12. 2002
Nakladatel
Elsevir
Strany od
251
Strany do
254
Strany počet
4
BibTex
@article{BUT41174,
author="Peter {Pelikán} and Ladislav {Omelka} and Kateřina {Brudíková} and Martin {Breza}",
title="Quantum chemical study of the preferential ortho-addition of phenoxyl radicals to nitroso spin-traps",
year="2002",
pages="4"
}