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Spin-isomer conversion of water at room temperature, and quantum-rotor-induced nuclear polarization, in the water-endofullerene H2​​​O​@C60

Spin-isomer conversion of water at room temperature, and quantum-rotor-induced nuclear polarization, in the water-endofullerene H2​​​O​@C60
Spin-isomer conversion of water at room temperature, and quantum-rotor-induced nuclear polarization, in the water-endofullerene H2​​​O​@C60
Water exists in two forms, para and ortho, that have nuclear spin states with different symmetries. Here we report the conversion of fullerene-encapsulated para-water to ortho-water. The enrichment of para-water at low temperatures is monitored via changes in the electrical polarizability of the material. Upon rapid dissolution of the material in toluene the excess para-water converts to ortho-water. In H216O@C60 the conversion leads to a slow increase in the NMR signal. In H217O@C60 the conversion gives rise to weak signal enhancements attributed to quantum-rotor-induced nuclear spin polarization. The time constants for the spin-isomer conversion of fullerene-encapsulated water in ambient temperature solution are estimated as 30±4 s for the 16O-isotopologue of water, and 16±3 s for the 17O-isotopologue.
1079-7114
1-6
Meier, Benno
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Kouril, Karel
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Bengs, Christian
6d086f95-d3e8-4adc-86a5-6b255aee4dd1
Kourilova, Hana
2ca1e000-e47e-4bd2-a6dc-ce9a93e30777
Barker, Timothy
8036dc6d-be45-4b28-8ea9-d073e2142157
Elliott, Stuart
6cc724de-f75f-4c0f-a00a-e712b4e73b12
Alom, Shamim
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Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Kouril, Karel
75bde80c-90bd-49c4-8b89-ec1a7b39363a
Bengs, Christian
6d086f95-d3e8-4adc-86a5-6b255aee4dd1
Kourilova, Hana
2ca1e000-e47e-4bd2-a6dc-ce9a93e30777
Barker, Timothy
8036dc6d-be45-4b28-8ea9-d073e2142157
Elliott, Stuart
6cc724de-f75f-4c0f-a00a-e712b4e73b12
Alom, Shamim
f6b56fb1-7f94-432a-87cd-887f6e5d9f64
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3

Meier, Benno, Kouril, Karel, Bengs, Christian, Kourilova, Hana, Barker, Timothy, Elliott, Stuart, Alom, Shamim, Whitby, Richard J. and Levitt, Malcolm H. (2018) Spin-isomer conversion of water at room temperature, and quantum-rotor-induced nuclear polarization, in the water-endofullerene H2​​​O​@C60. Physical Review Letters, 120, 1-6. (doi:10.1103/PhysRevLett.120.266001).

Record type: Letter

Abstract

Water exists in two forms, para and ortho, that have nuclear spin states with different symmetries. Here we report the conversion of fullerene-encapsulated para-water to ortho-water. The enrichment of para-water at low temperatures is monitored via changes in the electrical polarizability of the material. Upon rapid dissolution of the material in toluene the excess para-water converts to ortho-water. In H216O@C60 the conversion leads to a slow increase in the NMR signal. In H217O@C60 the conversion gives rise to weak signal enhancements attributed to quantum-rotor-induced nuclear spin polarization. The time constants for the spin-isomer conversion of fullerene-encapsulated water in ambient temperature solution are estimated as 30±4 s for the 16O-isotopologue of water, and 16±3 s for the 17O-isotopologue.

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Submitted date: 6 February 2018
Accepted/In Press date: 22 May 2018
e-pub ahead of print date: 29 June 2018
Published date: 29 June 2018

Identifiers

Local EPrints ID: 418356
URI: https://eprints.soton.ac.uk/id/eprint/418356
ISSN: 1079-7114
PURE UUID: 14aa1843-7554-45cd-84d5-933a236bda54
ORCID for Benno Meier: ORCID iD orcid.org/0000-0003-2258-1507
ORCID for Karel Kouril: ORCID iD orcid.org/0000-0003-4884-1637
ORCID for Richard J. Whitby: ORCID iD orcid.org/0000-0002-9891-5502
ORCID for Malcolm H. Levitt: ORCID iD orcid.org/0000-0001-9878-1180

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Date deposited: 01 Mar 2018 17:31
Last modified: 13 Jun 2019 04:01

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Contributors

Author: Benno Meier ORCID iD
Author: Karel Kouril ORCID iD
Author: Christian Bengs
Author: Hana Kourilova
Author: Timothy Barker
Author: Stuart Elliott
Author: Shamim Alom

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