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Electrical detection of ortho-para conversion in fullerene-encapsulated water

Electrical detection of ortho-para conversion in fullerene-encapsulated water
Electrical detection of ortho-para conversion in fullerene-encapsulated water
Water exists in two spin isomers, ortho and para, that have different nuclear spin states. In bulk water, rapid proton exchange and hindered molecular rotation obscure the direct observation of two spin isomers. The supramolecular endofullerene H2O@C60 provides freely rotating, isolated water molecules even at cryogenic temperatures. Here we show that the bulk dielectric constant of this substance depends on the ortho/para ratio, and changes slowly in time after a sudden temperature jump, due to nuclear spin conversion. The attribution of the effect to ortho–para conversion is validated by comparison with nuclear magnetic resonance and quantum theory. The change in dielectric constant is consistent with an electric dipole moment of 0.51±0.05?Debye for an encapsulated water molecule, indicating the partial shielding of the water dipole by the encapsulating cage. The dependence of bulk dielectric constant on nuclear spin isomer composition appears to be a previously unreported physical phenomenon
chemical sciences, physical chemistry, atomic and molecular physics
1-12
Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Mamone, Salvatore
a36f5468-abcb-47d8-9bff-0dddec553a5e
Concistrè, Maria
4d926227-2c26-489b-ac6c-ccc1354c68db
Alonso-Valdesueiro, Javier
8d37c9c4-02e9-472e-be0d-965afd1678d0
Krachmalnicoff, Andrea
adb13b15-6caf-41ad-a74a-64f3a12f89b3
Whitby, Richard
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3
Meier, Benno
ed19bfd6-3347-43f1-9e1a-06e6586ee4d1
Mamone, Salvatore
a36f5468-abcb-47d8-9bff-0dddec553a5e
Concistrè, Maria
4d926227-2c26-489b-ac6c-ccc1354c68db
Alonso-Valdesueiro, Javier
8d37c9c4-02e9-472e-be0d-965afd1678d0
Krachmalnicoff, Andrea
adb13b15-6caf-41ad-a74a-64f3a12f89b3
Whitby, Richard
45632236-ab00-4ad0-a02d-6209043e818b
Levitt, Malcolm H.
bcc5a80a-e5c5-4e0e-9a9a-249d036747c3

Meier, Benno, Mamone, Salvatore, Concistrè, Maria, Alonso-Valdesueiro, Javier, Krachmalnicoff, Andrea, Whitby, Richard and Levitt, Malcolm H. (2015) Electrical detection of ortho-para conversion in fullerene-encapsulated water. Nature Communications, 6, 1-12. (doi:10.1038/ncomms9112).

Record type: Article

Abstract

Water exists in two spin isomers, ortho and para, that have different nuclear spin states. In bulk water, rapid proton exchange and hindered molecular rotation obscure the direct observation of two spin isomers. The supramolecular endofullerene H2O@C60 provides freely rotating, isolated water molecules even at cryogenic temperatures. Here we show that the bulk dielectric constant of this substance depends on the ortho/para ratio, and changes slowly in time after a sudden temperature jump, due to nuclear spin conversion. The attribution of the effect to ortho–para conversion is validated by comparison with nuclear magnetic resonance and quantum theory. The change in dielectric constant is consistent with an electric dipole moment of 0.51±0.05?Debye for an encapsulated water molecule, indicating the partial shielding of the water dipole by the encapsulating cage. The dependence of bulk dielectric constant on nuclear spin isomer composition appears to be a previously unreported physical phenomenon

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Accepted/In Press date: 20 July 2015
Published date: 24 August 2015
Keywords: chemical sciences, physical chemistry, atomic and molecular physics
Organisations: Organic Chemistry: SCF, Magnetic Resonance

Identifiers

Local EPrints ID: 380812
URI: https://eprints.soton.ac.uk/id/eprint/380812
PURE UUID: a7d76577-831f-4d26-b155-0ab47aa88c17
ORCID for Benno Meier: ORCID iD orcid.org/0000-0003-2258-1507
ORCID for Richard 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: 21 Sep 2015 08:08
Last modified: 15 Nov 2018 01:37

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Contributors

Author: Benno Meier ORCID iD
Author: Salvatore Mamone
Author: Maria Concistrè
Author: Javier Alonso-Valdesueiro
Author: Andrea Krachmalnicoff
Author: Richard Whitby ORCID iD

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