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

Abstract

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.