Author/Authors :
Borovkov، نويسنده , , V.I. and Potashov، نويسنده , , P.A. and Bagryansky، نويسنده , , V.A. and Molin، نويسنده , , Yu.N. and Faustov، نويسنده , , V.I. and Krylova، نويسنده , , I.V. and Egorov، نويسنده , , M.P.، نويسنده ,
Abstract :
Radical cations of Me3СSiMe3 and Me3СGeMe3 were detected in hexane solution using the method of time-resolved magnetic field effect. The structures and electronic distributions of neutral molecules Me3CEMe3 and their radical cations: Me3СEMe3+ (E = C, Si, Ge, Sn) were investigated by DFT PBE/TZ2P calculations. The calculated and the experimental hyperfine coupling constants a(H) are in good agreement. The structures of Me3СSi Me 3 + , Me3СGe Me 3 + , and Me3СSn Me 3 + are in essence a tight radical cation pairs of the type CMe 3 / EMe 3 + .
