We observed the cyclohexanol dimer using rotational spectroscopy. While phenol produces a single dimer, suppression of π interactions in cyclohexanol results in multiple isomerism, as six competing dimers of the free molecule are observed in a supersonic jet expansion. The spectrum reveals accurate structural data, specifically the formation of homo- and heterochiral diasteroisomers and the presence of both equatorial and axial forms in the dimers. Three dispersion-corrected density-functional molecular orbital calculations were tested against the experiment, with B3LYP-D3(BJ) offering good structural reproducibility. This work is now submitted
Cyclohexanol dimer
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