Proton Tunneling in Heterodimers of Carboxylic Acids: A Rotational Study of the Benzoic Acid-Formic Acid Bimolecule

J Phys Chem Lett. 2012 Dec 20;3(24):3770-5. doi: 10.1021/jz3018489. Epub 2012 Dec 6.

Abstract

Tunneling effects have been measured in the pulsed jet Fourier transform microwave spectra of two isotopologues of the benzoic acid-formic acid bimolecule. The tunneling splittings are originated by the concerted proton transfer of the two carboxylic hydrogens. From the values of these splittings for the OH-OH and OD-OD species, it has been possible to model/size the barrier to the concerted double proton transfer.

Keywords: concerted proton transfer; hetero dimers; hydrogen bonding; pulsed jets; rotational spectroscopy.