Is Water Templating Nanoporous Materials?
Article first published online: 15 MAR 2004
Copyright © 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Chemistry - A European Journal
Volume 10, Issue 6, pages 1366–1372, March 19, 2004
How to Cite
Henry, M., Taulelle, F., Loiseau, T., Beitone, L. and Férey, G. (2004), Is Water Templating Nanoporous Materials?. Chem. Eur. J., 10: 1366–1372. doi: 10.1002/chem.200305143
- Issue published online: 15 MAR 2004
- Article first published online: 15 MAR 2004
- Manuscript Revised: 1 SEP 2003
- Manuscript Received: 15 MAY 2003
- nanoporous materials;
- templating effect;
- water chemistry;
- water structure
(H2O)17, a cluster with pentagonal water arrangements, squeezed in the sodalite cage of the crystal structure MIL-74 (Zn6Al12P24O96⋅ [N(CH2CH2NH3)3]8⋅(H2O)34), has its oxygen atoms well located by X-ray powder diffraction. Positioning of hydrogen atoms has been performed by a dynamic partial atomic charges and hardnesses analysis calculation, in which partial charges are recalculated for each hydrogen sub-network modification. Hydrogen atoms are therefore positioned by energy minimization. A quantitative estimation of the hydrogen bonds energy for each Hbond and for the network in the MIL-74 nanoporous compound has been obtained. This result allows a discussion of the effect of imprinting the nanoporous structure onto water or alternatively the templating effect of the cluster onto the inorganic framework.