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• W2024132878 endingPage "S616" @default.
• W2024132878 startingPage "S609" @default.
• W2024132878 abstract "Unsaturated thiocrown ethers (described as [X–UT–Y], where X and Y indicate the numbers of carbon and sulfur atoms, respectively) with cis-geometry are a group of crown ethers that, in light of the size of their cavities and their conformational restriction compared to a corresponding saturated system (1–9), demonstrate interesting properties for physicochemical studies. Formation of endohedral metallofullerenes is thought to involve the transfer of electrons from the encapsulated metal atom(s) to the surrounding fullerene cage. Two of these molecules are the [email protected]82 (10) and [email protected]82 (11). The supramolecular complexes of 1–9 with [email protected]82 (10) and [email protected]82 (11) have been shown to possess a host–guest interaction for electron transfer processes, and these behaviors have previously been reported. The relationship between an index (which was introduced as the ratio of summation of the number of carbon atoms (nc) and the number of sulfur atoms (ns)) and oxidation potential (oxE1) of 1–9, as well as the free energies of electron transfer (ΔGet, by the Rehm–Weller equation) between 1–9 and 10 and 11 as [X–UT–Y][[email protected]82] (12) and [X–UT–Y][[email protected]82] (13) complexes, were investigated before. In this study, the first and second activation free energies of electron transfer and kinetic rate constants of the electron transfers, ΔGet(n)# and ket (n = 1,2), respectively, which are given by the previous studies for [X–UT–Y][[email protected]82] (12) and [X–UT–Y][[email protected]82] (13) complexes, were calculated in accordance with the Marcus theory." @default.
• W2024132878 created "2016-06-24" @default.
• W2024132878 creator A5058701624 @default.
• W2024132878 date "2017-02-01" @default.
• W2024132878 modified "2023-10-18" @default.
• W2024132878 title "Theoretical studies of the free energies of electron transfer and electron transfer kinetics in nanostructure supramolecular complexes of cis -unsaturated thiocrown ethers and Ce and Gd endohedral metallofullerenes [ X –UT– Y ][M@C 82 ] (M = Ce, Gd)" @default.
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• W2024132878 doi "https://doi.org/10.1016/j.arabjc.2012.10.022" @default.
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