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...

Ausführliche Beschreibung

Bibliografische Detailangaben

Veröffentlicht in:	Proc Natl Acad Sci U S A
Hauptverfasser:	Böhm, Michael C., Bickert, Peter, Hafner, Klaus, Boekelheide, V.
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	National Academy of Sciences 1984
Schlagworte:	Physical Sciences: Chemistry
Online-Zugang:	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
Tags:	Tag hinzufügen Keine Tags, Fügen Sie das erste Tag hinzu!