Cyeloaddition Reactions Between C30 and Huta- 1,3 -diene An ab initio Study
محورهای موضوعی : Journal of Physical & Theoretical Chemistry
Seeid Abedini Khorrami
1
(-)
Shahram Moradi
2
(-)
Hajar Mohammadzadeh Bahar
3
(-)
کلید واژه: Nano structures of Fullerene, , AM1 calculations, Cycloadditions,
چکیده مقاله :
Cycloaddition reaction between C30 and hula-I, 3-diene was studied within the Snimework of AM I (RHF)level. The reaction involving the double bond between two hexagons and a hexagon and a pentagon, as wellas the cycloaddition products followed by disrotatory ogs s electrocyclic ring openings were considered.Thermodynamics parameters and stability energy and innsation state are evaluated in three Valence isomers
