Radical reactions of a stable N-heterocyclic germylene: EPR study and DFT calculation.
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.
Tumanskii
Boris
B
Department of Chemistry and the Lise Meitner-Minerva Center for Computational Quantum Chemistry, Technion-Israel Institute of Technology, Haifa 32000, Israel.
Pine
Pauline
P
Apeloig
Yitzhak
Y
Hill
Nicholas J
NJ
West
Robert
R