2H-NMR study of ammonium ion rotational tunneling and reorientation in (ND4)2SnCl6 single crystal: I. Tunneling frequency measurements

TLDR: In this article, Quadrupole and dipole-dipole interactions for four deuterons of the tetrahedral ion as well as the rotational tunneling are taken into account.

Abstract: Theory of2H-NMR spectra is developed for a ND4+ ion. Quadrupole and dipole-dipole interactions for four deuterons of the tetrahedral ion as well as the rotational tunneling are taken into account. Features in the single crystal spectra at the high magnetic field of 6.7 T are analyzed. Their central doublets (±5 kHz range around the Larmor frequency) are attributed to theA symmetry species and exhibit sensitivity to theA−T tunneling frequencyvt. This allows the measurement ofvt in a wide rangevt <10 MHz. The shape of sidebands (±140 kHz range) is related to the T levels structure. Theoretical predictions are verified on a (ND4)2SnCl6 single crystal at 44 MHz. The tunneling frequency at temperatures below 10 K equals 7.5 MHz, which is about 100 times smaller than for (NH4)2SnCl6.vt was measured up to 40 K. At still higher temperatures motional narrowing effects were observed for theA spectral components preventing the determination ofvt.