Issue 2, 1987

Ab initio molecular orbital calculations on the acidic properties of boralite

Abstract

The ability to characterise the acidic and geometric properties of boron substituted zeolites using ab initio molecular orbital calculations is demonstrated; the acidity of the bridged hydroxy group in boralite is predicted to lie between that of terminal and bridged aluminium forms.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1987, 72-73

Ab initio molecular orbital calculations on the acidic properties of boralite

P. J. O'Malley and J. Dwyer, J. Chem. Soc., Chem. Commun., 1987, 72 DOI: 10.1039/C39870000072

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