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NMR Lineshapes and Scalar Relaxation of the Water‐Endofullerene H 2 17 O@C 60
Author(s) -
Elliott Stuart James,
Bengs Christian,
Kouril Karel,
Meier Benno,
Alom Shamim,
Whitby Richard John,
Levitt Malcolm Harris
Publication year - 2018
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201701330
Subject(s) - isotopomers , proton , relaxation (psychology) , chemistry , deuterium , scalar (mathematics) , fullerene , spin–lattice relaxation , molecule , nuclear magnetic resonance , molecular physics , analytical chemistry (journal) , picosecond , atomic physics , physics , nuclear physics , optics , psychology , social psychology , laser , geometry , mathematics , organic chemistry , chromatography
The 17 O isotopomer of the water‐endofullerene H 2 O@C 60 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 17 O 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 17 O nuclei. The data are consistent with rotational diffusion of the water molecules on the sub‐picosecond timescale.