15 Jul 2021

15 Jul 2021

Review status: this preprint is currently under review for the journal MR.

The relation between crystal structure and the occurrence of quantum-rotor induced polarization

Corinna Dietrich1, Julia Wissel1, Oliver Lorenz1, Arafat Hossain Khan2, Marko Bertmer2, Somayeh Khazaei3, Daniel Sebastiani3, and Jörg Matysik1 Corinna Dietrich et al.
  • 1Institut für Analytische Chemie, Universität Leipzig, Linnéstr. 3, 04103 Leipzig, Germany
  • 2Felix-Bloch-Institut für Festkörperphysik, Universität Leipzig, Linnéstr. 5, 04103 Leipzig, Germany
  • 3nstitut für Chemie, Martin-Luther-Universität Halle-Wittenberg, Von-Danckelmann-Platz 4, 06120 Halle, Germany

Abstract. Among hyperpolarization techniques, quantum-rotor induced polarization (QRIP), also known as Haupt effect, is a peculiar one. It is on one hand rather simple to apply by cooling and heating of a sample. On the other hand, only the methyl groups of a few substances seem to allow for the effect, which strongly limits the applicability of QRIP. While it is known, that a high tunnel frequency is favorable, the structural requirements for the effect to occur are not exhaustively studied yet. Here we report on our efforts to heuristically recognize structural motifs in molecular crystals able to allow to produce QRIP.

Corinna Dietrich et al.

Status: open (until 12 Aug 2021)

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on mr-2021-51', Malcolm Levitt, 24 Jul 2021 reply
  • RC2: 'Comment on mr-2021-51', Benno Meier, 27 Jul 2021 reply
  • RC3: 'Comment on mr-2021-51', Alexej Jerschow, 31 Jul 2021 reply

Corinna Dietrich et al.

Data sets

Original NMR data Corinna Dietrich

Corinna Dietrich et al.


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Short summary
Quantum-rotor induced polarization, also called the "Haupt effect" is a hyperpolarization technique in NMR relying on the couplings of nuclear spin-states to rotational quantum states. The classical molecule showing this effect is gamma-picoline. One might assume that many other molecules carrying a methyl group might also show the effect. Here we explore in a heuristical approach other molecules which appear to be promising candidates.