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Issue 47, 2009
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Growth of boehmite particles in the presence of xylitol: morphology oriented by the nest effect of hydrogen bonding

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Abstract

The ability to design nanoparticles size and shape through the addition of simple and commercially available organic molecules is of particular interest in the catalytic domain because huge amounts of very fine powders are needed. The origin of this effect is all the more difficult to elucidate because the involved interactions are weak. In this paper, we have investigated the shaping of boehmite AlO(OH) nanoparticles in the presence of polyols like xylitol (C5 alditol) by a combined experimental and theoretical approach. Experimental techniques such as XRD, TEM, IEP measurements, adsorption isotherms measurements, and 13C MAS NMR experiments demonstrate that the effect of xylitol has a thermodynamic origin and suggest weak interactions between xylitol and the surface. Furthermore, the strongest proportion of lateral faces ((100), (001), and (101)) that of basal face would be in agreement with a preferential adsorption upon lateral surfaces. These results were refined by a computational approach. DFT calculations of surface energies (taking into account temperature and solvation effects) and of NMR shielding constants corroborate that molecular adsorption mode is preferred over all adsorption modes involving exchanges with surface OH groups. The preferred adsorption on lateral surfaces is attributed to the nest effect induced by hydroxyl groups localized on the concavities of the (001) and (101) surfaces, able to stabilize the xylitol molecule by hydrogen-bonding, whereas the basal (010) surface is almost flat. This combined experimental and computational approach thus provides interesting rationalization for the morphology effects observed.

Graphical abstract: Growth of boehmite particles in the presence of xylitol: morphology oriented by the nest effect of hydrogen bonding

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Publication details

The article was received on 14 Jul 2009, accepted on 23 Sep 2009 and first published on 22 Oct 2009


Article type: Paper
DOI: 10.1039/B914062J
Citation: Phys. Chem. Chem. Phys., 2009,11, 11310-11323
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    Growth of boehmite particles in the presence of xylitol: morphology oriented by the nest effect of hydrogen bonding

    D. Chiche, C. Chizallet, O. Durupthy, C. Chanéac, R. Revel, P. Raybaud and J. Jolivet, Phys. Chem. Chem. Phys., 2009, 11, 11310
    DOI: 10.1039/B914062J

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