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. 1984 Apr;81(8):2589-91.
doi: 10.1073/pnas.81.8.2589.

Model calculations of the interaction of two parallel antiaromatic 4n pi-electron systems

M C Böhm  1 , P Bickert, K Hafner, V Boekelheide
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Model calculations of the interaction of two parallel antiaromatic 4n pi-electron systems

M C Böhm et al. Proc Natl Acad Sci U S A. 1984 Apr.

Abstract

The nature of the interaction between decks of a pentalene dimer and an s-indacene dimer has been studied by semi-empirical MNDO/1 and MINDO/3 calculations for distances between decks of from 5 A to 2 A. In contradiction to qualitative predictions from a frontier orbital analysis, it is found that the 4n-4n pi-electron interaction between decks for such dimers is destabilizing for distances exceeding about 2.5 A.

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References

    1. Trop Geogr Med. 1973 Dec;25(4):362-4 - PubMed

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