Quantum crystallography: The structure and C-C bond length alternation of [18]-annulene.
Abstract
In my story about one of the molecules of the year, cyclo[48]carbon, I noted that the DFT method used in the literature to model the C-C bond length alternation around the ring (OX B3LYP30) had been re-calibrated against a remeasured crystal structure of C18H18 or [18]-annulene (below) in order to reproduce the observed values for […]
Fields of Study & Subjects
Synthesis and Properties of Aromatic Compounds
Fullerene Chemistry and Applications
Synthesis and characterization of novel inorganic/organometallic compounds
Publication details
- Publisher
- Front Matter
- Publication date
- 13 February 2026