CC Triple-bond stabilization in three-membered ring compounds: Boriryne, dilithiumcyclopropyne and berylliryne

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Abstract

Ab initio calculations have been performed on the title compounds. At 3-21G, boriryne is not a minimum on the potential energy hypersurface. The 3-21G optimized minimum of dilithiumcyclopropyne corresponds to dilithiumcyclopropenylidene with a planar tetracoordinated carbon atom and CC bond lengths intermediate between single and double bonds. Berylliryne is calculated to be a stable molecule, being the global minimum at the C2 Be energy hypersurface at MP2/6-31G*//6-31G* with a CC bond length of 1.258 Å.

Original languageEnglish
Pages (from-to)529-532
Number of pages4
JournalChemical Physics Letters
Volume111
Issue number6
DOIs
StatePublished - 16 Oct 1984
Externally publishedYes

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