Keywords
H-bonded complexes
high basicity
non-classical carbon
nucleophile ability
proton affinity
proton exchange
pyramidal carbon
pyramidane
pyramidane hydrogen bonds
pyramidane self-association
Abstract
DFT calculations predict self-association of pyramidane molecules to form polymolecular complexes (C5H4)n stabilized by unusual C···HC hydrogen bonds. The protonated complex [(C5H4)–H–(C5H4)]+ tolerates proton-exchange rearrangements, which have a low energy barrier.
Funders
Ministry of Education and Science of the Russian Federation
FENW-2026-0014
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