Reactivity of electrochemically generated radical cations of alkylnaphthalenes interpreted by AM1 calculations |
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| Authors: | Roman Edmund Sioda Barbara Frankowska |
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| Institution: | Department of Analytical Chemistry and Electrochemistry, Institute of Chemistry, University of Podlasie, ul. 3 Maja 54, 08-110 Siedlce, Poland |
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| Abstract: | Electro-oxidations of alkylnaphthalenes lead mainly to polymeric products and show a radical cation mechanism. Mechanisms are proposed and discussed based on energetic arguments. Enthalpies of formation and the energies of the HOMO and SOMO, calculated using the AM1 program, are presented. It is shown that the prevailing polymeric products are obtained by way of the intermediate formation of naphthols. |
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| Keywords: | Alkylnaphthalenes Naphthols Electro-oxidations Enthalpies of formation AM1 method |
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