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A simple correlation between isotropic 29Si-NMR chemical shifts and T–O–T angles in zeolite frameworks

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Abstract

29Si high-resolution solid-state nuclear magnetic resonance (NMR) spectrometry with magic-angle spinning (MASNMR) has proved to be a valuable tool for the quantitative identification of local Si(O–Al)n(O–Si)4–n environments of silicon in zeolitic frameworks1–4 where n = 0, 1, 2, 3 or 4. In addition, in certain cases, notably silicalite5 and several highly siliceous (dealuminated) zeolites6, crystallographically non-equivalent Si(O–Si)4 sites have also been distinguished. The accumulated NMR data on a number of zeolites have enabled us to derive a semi-empirical relationship between 29Si isotropic chemical shifts in aluminosilicates and the non-bonded Si⋯T distance (T = Si or Al). The relationship holds for all aluminosilicates and all the five types of Si(O–Al)n(O–Si)4–n tetrahedral environments; it also applies to silica polymorphs. The average value of Si–O–T angle for each kind of silicon site in aluminosilicates of unknown structure can now be estimated from 29Si-MASNMR, which holds considerable promise for structure elucidation.

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  1. Department of Physical Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EP, UK

    S. Ramdas & J. Klinowski

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  1. S. Ramdas
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  2. J. Klinowski
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Ramdas, S., Klinowski, J. A simple correlation between isotropic 29Si-NMR chemical shifts and T–O–T angles in zeolite frameworks. Nature 308, 521–523 (1984). https://doi.org/10.1038/308521a0

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