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

Benno Meier (), Salvatore Mamone, Maria Concistrè, Javier Alonso-Valdesueiro, Andrea Krachmalnicoff, Richard J. Whitby and Malcolm H. Levitt ()
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Benno Meier: School of Chemistry, University of Southampton
Salvatore Mamone: School of Chemistry, University of Southampton
Maria Concistrè: School of Chemistry, University of Southampton
Javier Alonso-Valdesueiro: School of Chemistry, University of Southampton
Andrea Krachmalnicoff: School of Chemistry, University of Southampton
Richard J. Whitby: School of Chemistry, University of Southampton
Malcolm H. Levitt: School of Chemistry, University of Southampton

Nature Communications, 2015, vol. 6, issue 1, 1-4

Abstract: 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.

Date: 2015
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DOI: 10.1038/ncomms9112

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