π-Electronic Structure of Diphenoquinone
- 1 July 1960
- journal article
- research article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 33 (7) , 917-920
- https://doi.org/10.1246/bcsj.33.917
Abstract
The electronic structure of diphenoquinone was studied with the simple MO method using the similar integral values as adopted in our previous work on p-quinones. The obtained result was discussed in comparison with the previously obtained one for p-benzoquinone. As for energy levels, the lowest unfilled orbital (b2g) of diphenoquinone is far lower than the other unfilled orbitals as was obtained with the p-quinones The highest filled orbital (b1u) of diphenoquinone is considerably higher than the ones of the p-quinones. From the calculated result the intense absorption band near 390 mμ was unambiguously assigned to the A1g→B3u transition.Keywords
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