Proton Tunneling in Heterodimers of Carboxylic Acids: A Rotational Study of the Benzoic Acid-Formic Acid Bimolecule.
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.
†Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco (UPV-EHU), Apartado 644, E-48940 Bilbao, Spain.|‡Dipartimento di Chimica, "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
Luca
L
Evangelisti
†Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco (UPV-EHU), Apartado 644, E-48940 Bilbao, Spain.
Patricia
P
Écija
†Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco (UPV-EHU), Apartado 644, E-48940 Bilbao, Spain.
Emilio J
EJ
Cocinero
†Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco (UPV-EHU), Apartado 644, E-48940 Bilbao, Spain.
Fernando
F
Castaño
§Departamento de Química Física y Química Inorgánica, Universidad de Valladolid, 47011 Valladolid, Spain.
Alberto
A
Lesarri
‡Dipartimento di Chimica, "G. Ciamician" dell'Università, Via Selmi 2, I-40126 Bologna, Italy.
Walther
W
Caminati
∥Sonnenbergstrasse 18, CH-5621 Zufikon, Switzerland.
Rolf
R
Meyer
concerted proton transfer; hetero dimers; hydrogen bonding; pulsed jets; rotational spectroscopy