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

Mamone, Salvatore; Concistre, 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.; Levitt, Malcolm H.


Salvatore Mamone

Maria Concistre

Elisa Carignani

Benno Meier

Andrea Krachmalnicoff

Ole G. Johannessen

Xuegong Lei

Yongjun Li

Mark Denning

Marina Carravetta

Kelvin Goh

Anthony J. Horsewill

Richard J. Whitby

Malcolm H. Levitt


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 di↵usion 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.


Mamone, S., Concistre, M., Carignani, E., Meier, B., Krachmalnicoff, A., Johannessen, O. G., …Levitt, M. H. (2014). Nuclear spin conversion of water inside fullerene cages detected by low-temperature nuclear magnetic resonance. Journal of Chemical Physics, 140(19), doi:10.1063/1.4873343

Journal Article Type Article
Publication Date May 21, 2014
Deposit Date Jul 24, 2014
Publicly Available Date Jul 24, 2014
Journal Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 0021-9606
Publisher AIP Publishing
Peer Reviewed Peer Reviewed
Volume 140
Issue 19
Public URL
Publisher URL
Additional Information © 2014 AIP Publishing LLC


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