Negative linear compressibility of a metal-organic framework

J Am Chem Soc. 2012 Jul 25;134(29):11940-3. doi: 10.1021/ja305196u. Epub 2012 Jul 10.


A 3D hybrid zinc formate framework, [NH(4)][Zn(HCOO)(3)], possessing an acs topology, shows a high degree of mechanical anisotropy and negative linear compressibility (NLC) along its c axis. High-pressure single-crystal X-ray diffraction studies and density functional theory calculations indicate that contraction of the Zn-O bonds and tilting of the formate ligands with increasing pressure induce changes in structure that result in shrinkage of the a and b axes and the NLC effect along c.