Halil Oturak

[ 1 ] - Theoretical Structural and Spectral Analyses of TEMPO Radical Derivatives of Fullerene

The spectroscopic properties of the 2,2,6,6-tetramethyl-piperidine-1-oxyl (TEMPO) radicalderivatives of the fullerene (C60) were theoretically investigated. The ground state optimizedstructures of the radical adducts of the fullerene were calculated by using DFT (B3LYP) with 6-31G(d) level. It was concluded that a 6-6 ring junction of C60 moiety generally covalently links to thepiperidine ring ...