Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
The Polarographic Reduction and Electronic Structures of Organic Halides
Kenichi FukuiKeiji MorokumaHiroshi KatoTeijiro Yonezawa
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1963 Volume 36 Issue 2 Pages 217-222

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Abstract

The polarographic reduction potential of haloalkanes is connected with the energy of their lowest unoccupied σ level. Moreover, the reduction products are well explained in terms of the anti-bonding nature of the carbon halogen bond of the level. The polarographic reduction potential of conjugated halides is also correlated to their lowest unoccupied σ, not π, level. It has also been suggested that, in conjugated halides, the lowest unoccupied σ level might be lower than the lowest unoccupied π level and that the π→σ* transition might be observed.
Most of the calculations have been carried out on the KDC-I digital computer of Kyoto University.

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