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Nuclear spin conversion of water inside fullerene cages detected by low-temperature nuclear magnetic resonance

Nuclear spin conversion of water inside fullerene cages detected by low-temperature nuclear magnetic resonance
Nuclear spin conversion of water inside fullerene cages detected by low-temperature nuclear magnetic resonance
The water-endofullerene H2O@C60 provides a unique chemical system in which freely rotating water molecules are confined inside homogeneous and symmetrical carbon cages. The spin conversion between the ortho and para species of the endohedral H2O was studied in the solid phase by low-temperature nuclear magnetic resonance. The experimental data are consistent with a second-order kinetics, indicating a bimolecular spin conversion process. Numerical simulations suggest the simultaneous presence of a spin diffusion process allowing neighbouring ortho and para molecules to exchange their angular momenta. Cross-polarization experiments found no evidence that the spin conversion of the endohedral H2O molecules is catalysed by 13C nuclei present in the cages.
0021-9606
194306
Mamone, Salvatore
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Concistrè, Maria
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Carignani, Elisa
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Meier, Benno
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Krachmalnicoff, Andrea
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Johannessen, Ole G.
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Lei, Xuegong
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Li, Yongjun
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Denning, Mark
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Carravetta, Marina
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Goh, Kelvin
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Horsewill, Anthony J.
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Whitby, Richard J.
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Levitt, Malcolm H.
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Mamone, Salvatore
b4a7783d-af9c-482a-afde-a77a06460b4b
Concistrè, Maria
ec95c9d4-ecb8-4c28-a464-8c3adba9e86d
Carignani, Elisa
c6e4bd57-03da-4040-b437-0930b4d859f4
Meier, Benno
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Krachmalnicoff, Andrea
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Johannessen, Ole G.
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Lei, Xuegong
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Li, Yongjun
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Denning, Mark
591eff44-0b90-4a4c-9cca-70d910757066
Carravetta, Marina
1b12fa96-4a6a-4689-ab3b-ccc68f1d7691
Goh, Kelvin
aa39da87-b3c4-4208-bd70-88cde484f48a
Horsewill, Anthony J.
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Whitby, Richard J.
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
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Mamone, Salvatore, Concistrè, Maria, Carignani, Elisa, Meier, Benno, Krachmalnicoff, Andrea, Johannessen, Ole G., Lei, Xuegong, Li, Yongjun, Denning, Mark, Carravetta, Marina, Goh, Kelvin, Horsewill, Anthony J., Whitby, Richard J. and Levitt, Malcolm H. (2014) Nuclear spin conversion of water inside fullerene cages detected by low-temperature nuclear magnetic resonance. The Journal of Chemical Physics, 140 (19), 194306. (doi:10.1063/1.4873343).

Record type: Article

Abstract

The water-endofullerene H2O@C60 provides a unique chemical system in which freely rotating water molecules are confined inside homogeneous and symmetrical carbon cages. The spin conversion between the ortho and para species of the endohedral H2O was studied in the solid phase by low-temperature nuclear magnetic resonance. The experimental data are consistent with a second-order kinetics, indicating a bimolecular spin conversion process. Numerical simulations suggest the simultaneous presence of a spin diffusion process allowing neighbouring ortho and para molecules to exchange their angular momenta. Cross-polarization experiments found no evidence that the spin conversion of the endohedral H2O molecules is catalysed by 13C nuclei present in the cages.

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Published date: 20 May 2014
Organisations: Magnetic Resonance

Identifiers

Local EPrints ID: 369193
URI: http://eprints.soton.ac.uk/id/eprint/369193
ISSN: 0021-9606
PURE UUID: 4fe01286-d686-4663-b581-1de6c5657ccc
ORCID for Maria Concistrè: ORCID iD orcid.org/0000-0001-7111-0782
ORCID for Benno Meier: ORCID iD orcid.org/0000-0003-2258-1507
ORCID for Marina Carravetta: ORCID iD orcid.org/0000-0002-6296-2104
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

Catalogue record

Date deposited: 30 Sep 2014 10:55
Last modified: 15 Mar 2024 03:32

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Contributors

Author: Salvatore Mamone
Author: Maria Concistrè ORCID iD
Author: Elisa Carignani
Author: Benno Meier ORCID iD
Author: Andrea Krachmalnicoff
Author: Ole G. Johannessen
Author: Xuegong Lei
Author: Yongjun Li
Author: Mark Denning
Author: Kelvin Goh
Author: Anthony J. Horsewill

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