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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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| Udgivet i: | Proc Natl Acad Sci U S A |
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| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
1984
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| Fag: | |
| Online adgang: | 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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