Metal-Organic Frameworks (MOFs) are promising porous crystalline hybrid materials for various applications (gas separation or storage, catalysis, medicine, etc). Nevertheless, a major limitation of these materials remains their weak stability at high temperature or in the presence of water[1]. The stability of these MOFs in the presence of water remains a property difficult to predict and highly depends on the atomic-level structure of these materials. In the present work, we have used 1D and 2D 17O solid-state NMR experiments to probe atomic-level interactions and exchanges of O atoms between water and MOFs. This original approach has been applied for UiO-66(Zr), a zirconium-based MOF promising for industrial applications because of its good stability[2]. These studies involved the preparation of different selectively 17O-labeled UiO-66(Zr) MOFs using either 17O-enriched water as the 17O source[3] or 17O-labeled ligands prepared by mechanochemistry[4].

[1] B. Liu, K. Vikrant, K.-H. Kim, V. Kumar, S. K. Kailasa, Environ. Sci. : Nano, 2020, 7, 1319-1347

[2] V. Guillerm, F. Ragon, M. DanHardi, S. Gross, C. Serre, Angew. Chem. Int. Ed., 2002, 51, 9267-9271

[3] P. He, J. Xu, V. V. Terskikh, A. Sutrisno, H.-Y. Nie, Y. Huang, J. Phys. Chem. C., 2013, 117, 16953-16960

[4] T.-X. Métro, C. Gervais, A. Martinez, C. Bonhomme, D. Laurencin, Angew. Chem. Int. Ed., 2017, 129, 6907-6911