Theoretical Studies of Free Activation Energies and Kinetic of Electron Transfer of [SWCNT(5,5)-Armchair-CnH20][R] (R=η2-C70Pd(dppr) and η2-C70Pd(dppcym)2, n=20- 300) Nanostructure Complexes

The relationship between the number of carbon atoms and the first free energies of electron transfer (DGet(1)), as assessed using the electron transfer (ET) equation on the basis of the first oxidation potentials (oxE1) of the compounds for the predicted supramolecular complexes, between1-18 and 19-29 with the metallofullerenesη2_C70Pd(dppr) and η2_C70Pd(dppcym)2as [SWCNT(5,5)- Armchair-CnH20][R](R= η2_C70Pd(dppr) and η2_C70Pd(dppcym)2, n=20-300), are presented here. The results were extended for [SWCNT(5,5)-Armchair-CnH20][R](R=η2_C70Pd(dppr) andη2_C70Pd(dppcym)2, n=20-300).[5,6]

کلیدواژه ها:

η2_C70Pd(dppr) ، η2_C70Pd(dppcym)2 ، Single-wall Nanotubes ، Free energy of electron transfer ، Free activation energies ، Rate constants