Rationalization of the Mechanism of Bistability in Dithiazolyl-based Molecular Magnets

Abstract

[eng] In this work, we characterized and studied the properties associated to DTA-based bistable organic molecular magnetic systems, namely PDTA and TDPDTA, respectively. In both cases, the low and high temperature phases have been considered, in order to highlight the common and different physical-chemical properties, both from a structural perspective and also in terms of magnetic and thermodynamic properties. The high temperature phases are found to present a uniform stack propagation of the monomers in the columns, whereas the low temperature present, in the case of PDTA, pi-dimers alternated to pi-shifted dimers, and for TDPDTA, the same similar distribution but combined with a longitudinal slippage which induces a crystalline distortion. The study of these materials was divided into static and dynamic investigations, allowing for a systematic and step-by-step investigation, uncovering new and unexpected properties.