Elliott Stuart James, Bengs Christian, Kouril Karel, Meier Benno, Alom Shamim, Whitby Richard John, Levitt Malcolm Harris
School of Chemistry, University of Southampton, Southampton, SO17 1BJ, UK.
Chemphyschem. 2018 Feb 5;19(3):251-255. doi: 10.1002/cphc.201701330.
The O isotopomer of the water-endofullerene H O@C 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 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 O nuclei. The data are consistent with rotational diffusion of the water molecules on the sub-picosecond timescale.
水包富勒烯H₂O@C的¹⁷O同位素异构体呈现出显著的质子核磁共振谱，有六个分辨率良好的峰。这些峰归因于水质子与自旋为5/2的¹⁷O核之间的J耦合。富勒烯笼抑制了水质子交换，从而实现了这些峰的分辨率。这六个峰呈现出不寻常的线宽模式，我们通过对¹⁷O核四极弛豫引起的标量弛豫进行刘维尔空间处理来对其进行建模。数据与水分子在亚皮秒时间尺度上的旋转扩散一致。
