Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy

Frantsuzov, I.; Ford, S.J.; Radosavljevic Evans, I.; Horsewill, A.J.; Trommsdorff, H.P.; Johnson, M.R.

doi:10.1103/physrevlett.113.018301

Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy

Frantsuzov, I.; Ford, S.J.; Radosavljevic Evans, I.; Horsewill, A.J.; Trommsdorff, H.P.; Johnson, M.R.

Authors

I. Frantsuzov

S.J. Ford

I. Radosavljevic Evans

A.J. Horsewill

H.P. Trommsdorff

M.R. Johnson

Contributors

Professor Ivana Evans ivana.radosavljevic@durham.ac.uk
Other

Abstract

In this Letter, we present NMR spin-lattice and relaxometry data for proton transfer in one of the shortest known N−H⋯O hydrogen bonds in a single crystal of 3,5 pyridinedicarboxylic acid (35PDCA). It is widely believed that proton transfer by quantum tunneling does not occur in short hydrogen bonds since the ground state energy level lies above the potential barrier, yet these data show a temperature independent, proton tunneling rate below 77 K and a clear deviation from classical dynamics below 91 K. This study therefore suggests that proton tunneling occurs in all hydrogen bonds at low temperature and the crossover temperature to classical hopping must be determined when evaluating whether proton tunneling persists at higher temperature, for example in enzyme catalysis under physiological conditions.

Citation

Frantsuzov, I., Ford, S., Radosavljevic Evans, I., Horsewill, A., Trommsdorff, H., & Johnson, M. (2014). Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy. Physical Review Letters, 113(1), Article 018301. https://doi.org/10.1103/physrevlett.113.018301

Journal Article Type	Article
Acceptance Date	Nov 23, 2013
Online Publication Date	Jul 2, 2014
Publication Date	Jul 2, 2014
Deposit Date	Jul 11, 2014
Publicly Available Date	Sep 9, 2014
Journal	Physical Review Letters
Print ISSN	0031-9007
Electronic ISSN	1079-7114
Publisher	American Physical Society
Peer Reviewed	Peer Reviewed
Volume	113
Issue	1
Article Number	018301
DOI	https://doi.org/10.1103/physrevlett.113.018301

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Reprinted with permission from the American Physical Society: Phys. Rev. Lett. 113, 018301 © (2014) by the American Physical Society. Readers may view, browse, and/or download material for temporary copying purposes only, provided these uses are for noncommercial personal purposes. Except as provided by law, this material may not be further reproduced, distributed, transmitted, modified, adapted, performed, displayed, published, or sold in whole or part, without prior written permission from the American Physical Society.