Rotational studies of adducts between carboxylic acids and tertiary alcohols: Formic acid – tert-butyl alcohol

The rotational spectra of the parent and eight isotopologues of the 1:1 complex formic acid – tert-butyl alcohol (FA-TBA) have been measured by pulsed jet Fourier transform microwave spectroscopy. The spectra have been observed in the supersonic expansion of a mixture of FA and TBA in Helium, differently with respect to the mixtures of FA with primary and secondary alcohols, which undergo the esterification reaction upon supersonic expansion. In the complex, the two subunits are linked to each other by two different O-H···O hydrogen bonds (HB) in which FA and TBA are alternate their roles of bond acceptor and donor. Upon H → D substitution of the corresponding O-H···O HB, a small Ubbelohde effect is observed.