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NMR lineshapes and scalar relaxation of the 17O-labelled water-endofullerene H2O@C60

NMR lineshapes and scalar relaxation of the 17O-labelled water-endofullerene H2O@C60
NMR lineshapes and scalar relaxation of the 17O-labelled water-endofullerene H2O@C60
The 17O isotopomer of the water-endofullerene H2O@C60 displays a remarkable proton NMR spectrum, with six well resolved peaks. These peaks are due to the J-coupling between the water protons and the 17O nucleus, which has spin-5/2. The resolution of these peaks is enabled by the suppression of water proton exchange by the fullerene cage. The six peaks display an unusual pattern of linewidths, which we model by a Liouville-space treatment of scalar relaxation due to quadrupolar relaxation of the 17O nuclei. The data are consistent with rotational diffusion of the water molecule on the sub-picosecond timescale.
1439-4235
251-255
Elliott, Stuart J.
6cc724de-f75f-4c0f-a00a-e712b4e73b12
Bengs, Christian
6d086f95-d3e8-4adc-86a5-6b255aee4dd1
Kouril, Karel
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Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Alom, Shamim
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Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Elliott, Stuart J.
6cc724de-f75f-4c0f-a00a-e712b4e73b12
Bengs, Christian
6d086f95-d3e8-4adc-86a5-6b255aee4dd1
Kouril, Karel
75bde80c-90bd-49c4-8b89-ec1a7b39363a
Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Alom, Shamim
f6b56fb1-7f94-432a-87cd-887f6e5d9f64
Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3

Elliott, Stuart J., Bengs, Christian, Kouril, Karel, Meier, Benno, Alom, Shamim, Whitby, Richard J. and Levitt, Malcolm H. (2018) NMR lineshapes and scalar relaxation of the 17O-labelled water-endofullerene H2O@C60. ChemPhysChem, 19, 251-255. (doi:10.1002/cphc.201701330).

Record type: Article

Abstract

The 17O isotopomer of the water-endofullerene H2O@C60 displays a remarkable proton NMR spectrum, with six well resolved peaks. These peaks are due to the J-coupling between the water protons and the 17O nucleus, which has spin-5/2. The resolution of these peaks is enabled by the suppression of water proton exchange by the fullerene cage. The six peaks display an unusual pattern of linewidths, which we model by a Liouville-space treatment of scalar relaxation due to quadrupolar relaxation of the 17O nuclei. The data are consistent with rotational diffusion of the water molecule on the sub-picosecond timescale.

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Accepted/In Press date: 13 December 2017
e-pub ahead of print date: 13 December 2017
Published date: 4 February 2018

Identifiers

Local EPrints ID: 416660
URI: https://eprints.soton.ac.uk/id/eprint/416660
ISSN: 1439-4235
PURE UUID: 3a7912db-0b81-40fc-a61b-e69dbb8e0670
ORCID for Karel Kouril: ORCID iD orcid.org/0000-0003-4884-1637
ORCID for Benno Meier: ORCID iD orcid.org/0000-0003-2258-1507
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: 04 Jan 2018 17:30
Last modified: 14 Mar 2019 05:21

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