Electrochemical, spectroscopic, and DFT study of C60(CF3)n frontier orbitals (n = 2-18): the link between double bonds in pentagons and reduction potentials |
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| Authors: | Popov Alexey A Kareev Ivan E Shustova Natalia B Stukalin Evgeny B Lebedkin Sergey F Seppelt Konrad Strauss Steven H Boltalina Olga V Dunsch Lothar |
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| Institution: | Chemistry Department, Moscow State University, Moscow, 119992, Russia. popov@phys.chem.msu.ru |
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| Abstract: | The frontier orbitals of 22 isolated and characterized C(60)(CF(3))(n) derivatives, including seven reported here for the first time, have been investigated by electronic spectroscopy (n = 2 1], 4 1], 6 2], 8 5], 10 6], 12 3]; the number of isomers for each composition is shown in square brackets) fluorescence spectroscopy (n = 10 4]), cyclic voltammetry under air-free conditions (all compounds with n
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