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

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 Å to 2 Å. In contradiction to qualitative predictions from a frontier orbital analysis, it is found that t...

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Detalhes bibliográficos

Publicado no:	Proc Natl Acad Sci U S A
Principais autores:	Böhm, Michael C., Bickert, Peter, Hafner, Klaus, Boekelheide, V.
Formato:	Artigo
Idioma:	Inglês
Publicado em:	National Academy of Sciences 1984
Assuntos:	Physical Sciences: Chemistry
Acesso em linha:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC345111/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16593458/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.81.8.2589
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