Journal of Physical Chemistry B, Vol.114, No.45, 14689-14695, 2010
Comparative NMR Properties of H-2 and HD in Toluene-d(8) and in H-2/HD@C-60
Spin lattice relaxation times, T-1, have been measured from 200-340 K for the protons in H-2 and HD molecules dissolved in toluene-d(8) and incarcerated in C-60 It is found that HD relaxes more slowly than H-2 in both environments and at all temperatures, as expected from the smaller values of the spin-rotation and dipole-dipole coupling in HD compared to H-2 More detailed analysis using models developed to describe relaxation in both condensed media and the gas phase indicates that transitions among the rotational states of H-2 occur at a rate similar to those of HD in both toluene-d(8) solution and in C-60 in contrast to the situation in gas phase collisions between hydrogen and He or Ar, where the lifetimes of rotational states of HD are markedly shorter than those for H-2 Measurements of the relative H-1 chemical shifts of H-2 and HD, the coupling constant hp, and the widths of the HD peaks at various temperatures revealed only small effects with insufficient accuracy to warrant more detailed interpretation