TY - JOUR
T1 - Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework
AU - Tan, Jin Chong
AU - Civalleri, Bartolomeo
AU - Lin, Chung Cherng
AU - Valenzano, Loredana
AU - Galvelis, Raimondas
AU - Chen, Po Fei
AU - Bennett, Thomas D.
AU - Mellot-Draznieks, Caroline
AU - Zicovich-Wilson, Claudio M.
AU - Cheetham, Anthony K.
PY - 2012/2/29
Y1 - 2012/2/29
N2 - 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 min1GPa, 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.
AB - 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 min1GPa, 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.
UR - http://www.scopus.com/inward/record.url?scp=84863297740&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.108.095502
DO - 10.1103/PhysRevLett.108.095502
M3 - 期刊論文
C2 - 22463647
AN - SCOPUS:84863297740
SN - 0031-9007
VL - 108
JO - Physical Review Letters
JF - Physical Review Letters
IS - 9
M1 - 095502
ER -