Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy
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 bo...
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| Format: | Article |
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American Physical Society
2014
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| Online Access: | https://eprints.nottingham.ac.uk/3279/ |
| _version_ | 1848790992256237568 |
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| author | Frantsuzov, Ilya Ford, Samantha J. Radosavljevic-Evans, Ivana Horsewill, Anthony J. Trommsdorff, Hans Peter Johnson, Mark R. |
| author_facet | Frantsuzov, Ilya Ford, Samantha J. Radosavljevic-Evans, Ivana Horsewill, Anthony J. Trommsdorff, Hans Peter Johnson, Mark R. |
| author_sort | Frantsuzov, Ilya |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T18:21:25Z |
| format | Article |
| id | nottingham-3279 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T18:21:25Z |
| publishDate | 2014 |
| publisher | American Physical Society |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-32792020-05-04T16:51:30Z https://eprints.nottingham.ac.uk/3279/ 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. 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. American Physical Society 2014-07-02 Article PeerReviewed Frantsuzov, Ilya, Ford, Samantha J., Radosavljevic-Evans, Ivana, Horsewill, Anthony J., Trommsdorff, Hans Peter and Johnson, Mark 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 . 018301. ISSN 0031-9007 http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.113.018301 doi:10.1103/PhysRevLett.113.018301 doi:10.1103/PhysRevLett.113.018301 |
| spellingShingle | 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 |
| title | Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy |
| title_full | Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy |
| title_fullStr | Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy |
| title_full_unstemmed | Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy |
| title_short | Measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy |
| title_sort | measurement of proton tunneling in short hydrogen bonds in single crystals of 3,5 pyridinedicarboxylic acid using nuclear magnetic resonance spectroscopy |
| url | https://eprints.nottingham.ac.uk/3279/ https://eprints.nottingham.ac.uk/3279/ https://eprints.nottingham.ac.uk/3279/ |