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

Frantsuzov, Ilya; Ford, Samantha J.; Radosavljevic-Evans, Ivana; Horsewill, Anthony J.; Trommsdorff, Hans Peter; Johnson, Mark R.

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


Authors

Ilya Frantsuzov

Samantha J. Ford

Ivana Radosavljevic-Evans

Anthony J. Horsewill

Hans Peter Trommsdorff

Mark R. Johnson



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 tunnelling does not occur in short hydrogen bonds since the ground state energy level lies above the potential barrier yet this data shows a temperature independent, proton tunnelling rate below 77 K and a clear deviation from classical dynamics below 91 K. This study therefore suggests that proton tunnelling occurs in all hydrogen bonds at low temperature and the cross-over temperature to classical hopping must be determined when evaluating whether proton tunnelling persists at higher temperature, for example in enzyme catalysis under physiological conditions.

Citation

Frantsuzov, I., Ford, S. J., Radosavljevic-Evans, I., Horsewill, A. J., Trommsdorff, H. P., & Johnson, M. R. (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, https://doi.org/10.1103/PhysRevLett.113.018301

Journal Article Type Article
Publication Date Jul 2, 2014
Deposit Date Jul 24, 2014
Publicly Available Date Jul 24, 2014
Journal Physical Review Letters
Print ISSN 0031-9007
Electronic ISSN 1079-7114
Publisher American Physical Society
Peer Reviewed Peer Reviewed
Volume 113
DOI https://doi.org/10.1103/PhysRevLett.113.018301
Public URL https://nottingham-repository.worktribe.com/output/733033
Publisher URL http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.018301
Additional Information © 2014 American Physical Society

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