High-pressure reversibility in a plastically flexible coordination polymer crystal

Abstract Single crystals which exhibit mechanical flexibility are promising materials for advanced technological applications. Before such can be used, a detailed understanding of the mechanisms bending is needed. Using single crystal X-ray diffraction and microfocus Raman spectroscopy, we study in atomic detail high-pressure response plastically flexible coordination polymer [Zn(?-Cl) 2 (3,5-dichloropyridine) ] n ( 1 ). Contradictory to three-point bending, quasi-hydrostatic compression ) completely reversible, even following over 9 GPa. A structural phase transition observed at ca . 5 DFT calculations show this result from pressure-induced softening low-frequency vibrations. This not during three-point-bending. Microfocus synchrotron revealed that yields significant mosaicity, as opposed compression. Hence, our studies indicate overall disparate responses bulk within same lattice. We suspect general feature bendable materials.