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

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 fo...

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Veröffentlicht in:The journal of physical chemistry letters 2012-12, Vol.3 (24), p.3770-3775
Hauptverfasser: Evangelisti, Luca, Écija, Patricia, Cocinero, Emilio J, Castaño, Fernando, Lesarri, Alberto, Caminati, Walther, Meyer, Rolf
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Spectroscopy, Photochemistry, and Excited States
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container_end_page 3775
container_issue 24
container_start_page 3770
container_title The journal of physical chemistry letters
container_volume 3
creator Evangelisti, Luca
Écija, Patricia
Cocinero, Emilio J
Castaño, Fernando
Lesarri, Alberto
Caminati, Walther
Meyer, Rolf
description 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.
doi_str_mv 10.1021/jz3018489
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title Proton Tunneling in Heterodimers of Carboxylic Acids: A Rotational Study of the Benzoic Acid–Formic Acid Bimolecule
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