Title of article :
Regioisomerism of the C60X2 (X=O, CH2, SiH2, GeH2)
Author/Authors :
Lee، نويسنده , , K.H. and Lee، نويسنده , , H.M. and Park، نويسنده , , S.S. and Eun، نويسنده , , H.M. and Lee، نويسنده , , J.Y. and Cho، نويسنده , , C.K. and Lee، نويسنده , , C.H.، نويسنده ,
Issue Information :
دوماهنامه با شماره پیاپی سال 1999
Abstract :
The structures of eight regioisomers of 6-6 bond organic derivatives of C60X2 (X=O, CH2, SiH2, GeH2) with intact cages have been calculated at the semiempirical PM-3 level. For the bis-adducts of O, CH2, and GeH2, cis-1 regioisomer is the most stable among the respective regioisomers. But in the case of SiH2, equatorial regioisomer is the most stable and all trans-1, -2, -3, and -4 regioisomers are more stable than cis-1 regioisomer.
Keywords :
Semi-empirical models and model calculations , Fullerenes and derivatives
Journal title :
Synthetic Metals
Journal title :
Synthetic Metals
