Author/Authors :
Surjلn، نويسنده , , P.R. and Németh، نويسنده , , K. and Bennati، نويسنده , , M. and Grupp، نويسنده , , A. and Mehring، نويسنده , , M.، نويسنده ,
Abstract :
Zero-field-splitting parameters D and E for the fullerene C60 in its Jahn-Teller distorted triplet state were calculated and compared to recent experimental results. The E value vanishes due to symmetry, while we obtained a non-zero D value of D = −0.009 cm−1 in the D5d distorted lowest triplet state. The absolute value of D is in good agreement with experimental data, which suggests that the sign of D is negative.
