King's College London

Research portal

The role of secondary interactions on the preferred conformers of the fenchone-ethanol complex

Research output: Contribution to journalArticle

Original languageEnglish
Pages (from-to)2938-2945
Number of pages8
JournalPhysical Chemistry Chemical Physics
Issue number6
Early online date14 Jan 2019
Accepted/In press14 Jan 2019
E-pub ahead of print14 Jan 2019


King's Authors


New atomic-level experimental data on the intermolecular non-covalent interactions between a common odorant and a relevant residue at odorant binding sites are reported. The preferred arrangements and binding interactions of fenchone, a common odorant and ethanol, a mimic of serine’s side chain, have been unambiguously identified using a combination of high resolution rotational spectroscopy and computational methods. The observed conformers include homochiral (RR) and heterochiral (RS) conformers, with a slight preference for a heterochiral form, and exhibit primary O∙∙∙H–O hydrogen
bonds between fenchone and ethanol. Secondary interactions play a key role in determining the relative configurations of fenchone and ethanol, and in shaping quite a flat potential energy surface, with many conformers close in energy and
small barriers for interconversion.

Download statistics

No data available

View graph of relations

© 2020 King's College London | Strand | London WC2R 2LS | England | United Kingdom | Tel +44 (0)20 7836 5454