Quantum-chemical study on electrode field effects in elementary stages in electrochemical methyl chloride reduction View Full Text


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Article Info

DATE

1990-07

AUTHORS

V. V. Lobanov, V. I. Bogillo

ABSTRACT

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. More... »

PAGES

384-390

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf00530429

DOI

http://dx.doi.org/10.1007/bf00530429

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1025405233


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