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Distribution of Si and Al in Clintonites: A combined NMR and Monte Carlo Study.

Abstract : The distribution of silicon and aluminum atoms over the tetrahedral sheets of clintonites (aluminum-rich phyllosilicates 2:1) has been studied by 29Si and 27Al magic-angle-spinning NMR spectroscopies. According to the 29Si NMR spectra, no silicon atoms are present in adjacent tetrahedra; however, several environments have been detected in the 27Al NMR signal, proving that these aluminosilicates do not adhere to Loewenstein's rule. The atom distribution has been simulated by a Monte Carlo procedure. From the results of these simulations, a further dispersion of silicon atoms over the tetrahedral sheets has been found, indicating a homogeneous dispersion of the electrostatic charge over the phyllosilicate layers. In contrast, a maximum dispersion of charges must be discarded in the layers of studied clintonites. Finally, an analysis of structural factors controlling this kind of cation distribution is given.
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https://hal-insu.archives-ouvertes.fr/hal-00069278
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Submitted on : Wednesday, May 17, 2006 - 7:05:30 AM
Last modification on : Tuesday, October 19, 2021 - 6:59:09 PM

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Jésus Sanz, C.P. Herrero, Jean-Louis Robert. Distribution of Si and Al in Clintonites: A combined NMR and Monte Carlo Study.. The Journal of physical chemistry, American Chemical Society (ACS), 2003, 107(33), pp.8337-8342. ⟨10.1021/jp030097m⟩. ⟨hal-00069278⟩

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