caa a22 4500 465807534 CHVBK 20180323112107.0 cr unu---uuuuu 170327e19900701xx s 000 0 eng 10.1007/BF00530429 doi (NATIONALLICENCE)springer-10.1007/BF00530429 Quantum-chemical study on electrode field effects in elementary stages in electrochemical methyl chloride reduction [Elektronische Daten] [V. Lobanov, V. Bogillo] MINDO/3 has been applied to the effects of field strength and direction on elementary stages in electroorganic reaction, the electrochemical reduction of methyl chloride: molecule and anion-radical orientation, electron transfer from electrode to molecule, anion radical dissociation, and methyl radical and anion inversion. The molecular electronic and stearic structures are affected by the field, as are those for the anion radical, the molecular and radical reorientation barriers, the direction and height in the radical dissociation barrier, and the radical and anion configuration stabilities. An explanation is given for the electrolysis data for alkyl halides and for the properties of chemically modified electrodes. Plenum Publishing Corporation, 1990 Lobanov V. Pisarzhevskii Institute for Physical Chemistry, Ukrainian Academy of Sciences, Kiev aut Bogillo V. Pisarzhevskii Institute for Physical Chemistry, Ukrainian Academy of Sciences, Kiev aut Theoretical and Experimental Chemistry Kluwer Academic Publishers-Plenum Publishers 25/4(1990-07-01), 384-390 0040-5760 25:4<384 1990 25 11237 https://doi.org/10.1007/BF00530429 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00530429 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Lobanov V. Pisarzhevskii Institute for Physical Chemistry, Ukrainian Academy of Sciences, Kiev aut NATIONALLICENCE 700 1- Bogillo V. Pisarzhevskii Institute for Physical Chemistry, Ukrainian Academy of Sciences, Kiev aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Kluwer Academic Publishers-Plenum Publishers 25/4(1990-07-01), 384-390 0040-5760 25:4<384 1990 25 11237 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer