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Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework.

Tan, JC; Civalleri, B; Lin, CC; Valenzano, L; Galvelis, R; Chen, PF; ... Cheetham, AK; + view all (2012) Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework. Physical Review Letters , 108 (9) , Article 095502 . 10.1103/PhysRevLett.108.095502. Green and gold open access

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Abstract

Using Brillouin scattering, we measured the single-crystal elastic constants (C(ij)'s) of a prototypical metal-organic framework (MOF): zeolitic imidazolate framework (ZIF)-8 [Zn(2-methylimidazolate)(2)], which adopts a zeolitic sodalite topology and exhibits large porosity. Its C(ij)'s under ambient conditions are (in GPa) C(11)=9.522(7), C(12)=6.865(14), and C(44)=0.967(4). Tensorial analysis of the C(ij)'s reveals the complete picture of the anisotropic elasticity in cubic ZIF-8. We show that ZIF-8 has a remarkably low shear modulus G(min) < or approximately 1 GPa, which is the lowest yet reported for a single-crystalline extended solid. Using ab initio calculations, we demonstrate that ZIF-8's C(ij)'s can be reliably predicted, and its elastic deformation mechanism is linked to the pliant ZnN(4) tetrahedra. Our results shed new light on the role of elastic constants in establishing the structural stability of MOF materials and thus their suitability for practical applications.

Type:Article
Title:Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework.
Location:United States
Open access status:An open access publication. A version is also available from UCL Discovery.
DOI:10.1103/PhysRevLett.108.095502
Publisher version:http://dx.doi.org/10.1103/PhysRevLett.108.095502
Language:English
Additional information:© 2012 American Physical Society
UCL classification:UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry

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