Issue 45, 2018

3D negative thermal expansion in orthorhombic MIL-68(In)

Abstract

Negative thermal expansion (NTE), lattice contraction upon heating, has been found in some metal organic frameworks (MOFs). To date, MOF compounds have been found to present either isotropic NTE in the cubic phase or 1D or 2D NTE in a low symmetry structure. Herein, we report anisotropic NTE in orthorhombic MIL-68(In) with the 3D NTE of αa = −5.6 × 10−6 K−1, αb = −2.7 × 10−6 K−1 and αc = −4.0 × 10−6 K−1. A synchrotron X-ray diffraction study shows that the transverse vibration of the phenyl ring leads to the NTE in the ab plane. Further high-energy synchrotron X-ray total scattering investigation reveals that the rotation of rigid octahedrons gives rise to the NTE along the c-axis. Such abnormal 3D NTE in orthorhombic MIL-68(In) is accounted for by the combination of transverse vibration and rigid unit modes. This is the first case to show 3D NTE in a low symmetry MOF compound and it will be beneficial to tailor the thermal expansion of functional MOF materials.

Graphical abstract: 3D negative thermal expansion in orthorhombic MIL-68(In)

Supplementary files

Article information

Article type
Communication
Submitted
21 Apr 2018
Accepted
04 May 2018
First published
09 May 2018

Chem. Commun., 2018,54, 5712-5715

3D negative thermal expansion in orthorhombic MIL-68(In)

Z. Liu, Q. Li, H. Zhu, K. Lin, J. Deng, J. Chen and X. Xing, Chem. Commun., 2018, 54, 5712 DOI: 10.1039/C8CC03219J

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