10.1186/2228-5326-3-22

Free energies, kinetics, and photoelectron-transfer properties, and theoretical and quantitative structural relationship studies of [SWCNT(5,5)-armchair-CnH20][R] (R = η2-CmPd(dppf), η2-CmPd(dppr), and η2-CmPd(dppcym)2, n = 20 to 300 and m = 60 and 70) nanostructure complexes

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  • Avat Arman Taherpour*1,
  • Zahra Talebi-Haftadori2,
  1. Department of Organic Chemistry, Faculty of Chemistry, Razi University, Kermanshah, IR
  2. Chemistry Department, Faculty of Science, Islamic Azad University, Arak, IR
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Published in Issue 2013-04-10

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Taherpour, A. A., & Talebi-Haftadori, Z. (2013). Free energies, kinetics, and photoelectron-transfer properties, and theoretical and quantitative structural relationship studies of [SWCNT(5,5)-armchair-CnH20][R] (R = η2-CmPd(dppf), η2-CmPd(dppr), and η2-CmPd(dppcym)2, n = 20 to 300 and m = 60 and 70) nanostructure complexes. International Nano Letters, 3(1 (December 2013). https://doi.org/10.1186/2228-5326-3-22
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Abstract

Abstract Metal complexes containing one or several bis(triorganylphosphine)palladium fragments attached to the C 60 core and coordinated in olefinic η 2 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 η 2_ C m Pd(dppf), η 2_ C m Pd(dppr), and η 2_ C m Pd(dppcym) 2 ( m = 60 and 70) ligands (A to E) and [SWCNT(5,5)-armchair-C n H 20 ] ( n = 20 to 190) 1 to 18 and the production of the [SWCNT(5,5)-armchair-C n H 20 ][ R ] ( R = η 2 -C m Pd(dppf), η 2 -C m Pd(dppr), and η 2 -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 ( ΔG et( n ) , n = 1,2) using the Rehm-Weller equation based on the first and second oxidation potentials ( ox E 1 and ox E 2 ) 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 H 20 ][ R ] ( R = η 2 -C m Pd(dppf), η 2 -C m Pd(dppr), and η 2 -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.

Keywords

  • Exohedral metallofullerenes,
  • Pd complexes,
  • Single-walled nanotubes,
  • Free energy of electron transfer,
  • Photoelectron transfer,
  • Marcus theory,
  • Planck's equation
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