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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.

Authors

Ilya Frantsuzov

Samantha J. Ford

Ivana Radosavljevic-Evans

Anthony J. Horsewill a.horsewill@nottingham.ac.uk

Hans Peter Trommsdorff

Mark R. Johnson johnson@ill.fr



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.

Journal Article Type Article
Publication Date Jul 2, 2014
Journal Physical Review Letters
Print ISSN 0031-9007
Electronic ISSN 0031-9007
Publisher American Physical Society
Peer Reviewed Peer Reviewed
Volume 113
APA6 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, doi:10.1103/PhysRevLett.113.018301
DOI https://doi.org/10.1103/PhysRevLett.113.018301
Publisher URL http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.018301
Copyright Statement Copyright information regarding this work can be found at the following address: http://eprints.nottingh.../end_user_agreement.pdf
Additional Information © 2014 American Physical Society

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Copyright Statement
Copyright information regarding this work can be found at the following address: http://eprints.nottingham.ac.uk/end_user_agreement.pdf





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