Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal

摘要

1 ·IFB ·solvent ). The MeOH and H_(2)O solvate within these robust crystals can be reversibly exchanged, giving an artificial triple hysteresis, with six different stable magnetic states and a ΔT _(1/2) of 95 K (MeOH versus H_(2)O solvatomorphs), which represent the workings of a stimulated logic gate that can be reset with heat or vacuum. Variable-temperature single-crystal X-ray diffraction (VT-SCXRD) elucidated the entire spin transition profile of the parent complex Fe(qsal-OMe)_(2)(NCS)·MeCN (1 ·MeCN ) and the anionic supramolecular framework-like adducts Fe(qsal-OMe)_(2)(1,3,5-triiodotrifluorobenzene)(NCS) (1 ·IFB ), Fe(qsal-OMe)_(2)(1,3,5-triiodotrifluorobenzene)(NCS)·MeOH (1 ·IFB ·MeOH ) and Fe(qsal-OMe)_(2)(1,3,5-triiodotrifluorobenzene)(NCS)·H_(2)O (1 ·IFB ·H _(2 )O ), with full structures collected every 5 or 10 K (total of 202 individual structures) over a temperature range of 100–450 K. The reversible solvent exchange and magnetic changes suggest that crystalline 1 ·IFB may be used as a specialized molecular magnetic sensor for MeOH and H_(2)O.>