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Ab initio calculations of dilithiopropenes

Ab initio molecular orbital calculations with the 3-21G basis set show the most stable dilithiopropene structure to be the di-π lithium-bridged structure VI of 1,3-dilithiopropene. This structure is most simply regarded as an ion triplet of two lithium cations and a propenylidene dianion.

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Dettagli Bibliografici
Autori principali: Kost, Daniel, Klein, Joseph, Streitwieser, Andrew, Schriver, George W.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 1982
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC346543/
https://ncbi.nlm.nih.gov/pubmed/16593203
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