Pressure-induced bond rearrangement and reversible phase transformation in a metal-organic framework

Abstract

Pressure-induced phase transformations (PIPTs) occur in a wide range of materials. In general, the bonding characteristics, before and after the PIPT, remain invariant in most materials, and the bond rearrangement is usually irreversible due to the strain induced under pressure. A reversible PIPT associated with a substantial bond rearrangement has been found in a metal-organic framework material, namely [tmenH2][Er(HCOO)4]2 (tmenH2(2+)=N,N,N',N'-tetramethylethylenediammonium). The transition is first-order and is accompanied by a unit cell volume change of about 10%. High-pressure single-crystal X-ray diffraction studies reveal the complex bond rearrangement through the transition. The reversible nature of the transition is confirmed by means of independent nanoindentation measurements on single crystals.

Keywords: bond rearrangement; high-pressure X-ray diffraction; metal-organic frameworks; nanoindentation; pressure-induced phase transformations.