Free energies, kinetics, and photoelectron-transfer properties, and theoretical and quantitative structural relationship studies of [SWCNT(5,5)-armchair-C n H20][R] (R = η2-C m Pd(dppf), η2-C m Pd(dppr), and η2-C m Pd(dppcym)2, n = 20 to 300 and m = 60 and 70) nanostructure complexes

Avat Arman Taherpour,Zahra Talebi-Haftadori

doi:10.1186/2228-5326-3-22

Avat Arman Taherpour, Zahra Talebi-Haftadori

Open Access

https://doi.org/10.1186/2228-5326-3-22

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Abstract

Metal complexes containing one or several bis(triorganylphosphine)palladium fragments attached to the C60 core and coordinated in olefinic η2 mode have been previously described. The number of carbon atoms of the single-walled carbon nanotubes (SWCNTs) is the useful numerical and structural electrochemical properties contributing to the relationship between the structures of the η2_C m Pd(dppf), η2_C m Pd(dppr), and η2_C m Pd(dppcym)2 (m = 60 and 70) ligands (A to E) and [SWCNT(5,5)-armchair-C n H20] (n = 20 to 190) 1 to 18 and the production of the [SWCNT(5,5)-armchair-C n H20][R] (R = η2-C m Pd(dppf), η2-C m Pd(dppr), and η2-C m Pd(dppcym)2, n = 20 to 300 and m = 60 and 70) complexes 30 to 174. In this study, the relationship between the number of carbon atoms index and the first and second free energies of electron transfer (ΔGet(n), n = 1,2) using the Rehm-Weller equation based on the first and second oxidation potentials (oxE1 and oxE2) of A to E for the predicted complexes 30 to 174 between 1 and 29 with exohedral metallofullerenes A to E, as [SWCNT(5,5)-armchair-C n H20][R] (R = η2-C m Pd(dppf), η2-C m Pd(dppr), and η2-C m Pd(dppcym)2, n = 20 to 300 and m = 60 and 70) 30 to 174 was assessed. Here, the first and second free activation energies of electron transfer and the wavelengths of the electromagnetic photons in the photoelectron transfer process, ΔG#et(n) and λ(n) (nm), respectively, for 30 to 174 in accordance with the Marcus theory and Planck's equation were also calculated.

Highlights

BackgroundThe first metal complexes containing one or several bis (triorganylphosphine)platinum fragments attached to the C60 core and coordinated in the olefinic η2 mode were described in 1991 [1,2,3], revealing that fullerenes, at least buckminsterfullerene C60, can function as ligands in reactions with transition metals
The first metal complexes containing one or several bisplatinum fragments attached to the C60 core and coordinated in the olefinic η2 mode were described in 1991 [1,2,3], revealing that fullerenes, at least buckminsterfullerene C60, can function as ligands in reactions with transition metals
To characterize the structural properties of the π-bonds, we investigated the relationship between the number of carbon atoms of the singlewalled carbon nanotubes (SWCNTs) (Cn) index and electron affinity, Red.E1 of [SWCNT(5,5)-armchair-CnH20] 1 to as well as the first and second free energies of electron transfer (ΔGet(n), n = 1,2) using the Rehm-Weller equation [36] based on the first and second oxidation potential of the η2_CmPd(dppf )), η2_CmPd(dppr), and η2_CmPd2 (m = 60 and 70) ligands (A to E) for the predicted [SWCNT(5,5)-armchair-CnH20][R] (R = η2-CmPd, η2-CmPd(dppr), and η2-CmPd(dppcym)2, n = 20 to 300 and m = 60 and 70) supramolecular complexes 30 to

Summary

Background

The first metal complexes containing one or several bis (triorganylphosphine)platinum fragments attached to the C60 core and coordinated in the olefinic η2 mode were described in 1991 [1,2,3], revealing that fullerenes, at least buckminsterfullerene C60, can function as ligands in reactions with transition metals. To characterize the structural properties of the π-bonds, we investigated the relationship between the number of carbon atoms of the SWCNT (Cn) index and electron affinity, Red.E1 of [SWCNT(5,5)-armchair-CnH20] 1 to (and extension of the results to to 29) as well as the first and second free energies of electron transfer (ΔGet(n), n = 1,2) using the Rehm-Weller equation [36] based on the first and second oxidation potential (oxE1 and oxE2) of the η2_CmPd(dppf )), η2_CmPd(dppr), and η2_CmPd (dppcym) (m = 60 and 70) ligands (A to E) for the predicted [SWCNT(5,5)-armchair-CnH20][R] (R = η2-CmPd (dppf ), η2-CmPd(dppr), and η2-CmPd(dppcym), n = 20 to 300 and m = 60 and 70) supramolecular complexes 30 to. Photoinduced electron transfer is an electron transfer that occurs when certain photoactive materials interact with light, including semiconductors that can be photo-activated, such as many solar cells, biological systems like those used in photosynthesis, and small molecules with suitable absorptions and redox states [36,37,38,39,40,41,42]

Methods

Conclusions