Abstract
The CNDO/2 method is employed in the study of the acid strength of O−H groups of the HY and HX zeolites using their cluster models of the Si4Al2O6(OH) 2−12 and Si3Al3O6(OH) 3−12 type. It is shown that the O−H groups of the HY zeolites are of more acidic character than those of the HX zeolites. The reasons of the heterogeneity of O−H groups are shortly discussed on the basis of the theoretical results.
Abstract
Метод ППДП/2 применялся для исследования кислотной силы групп OH цеолитов HY и HX, используя их кластерные модели типа Si4Al2O6(OH) 3−12 и Si3Al3O6(OH) 3−12 . Было показано, что группы OH цеодитов HY имеют более кислый характер, чем OH HX цеолитов. На основе теоретических результатов коротко обсуждается причина гетерогенности групп OH.
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References
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Part IV, cf. Ref. /1/
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Beran, S., Jírů, P. Quantum chemical study of the physical characteristics of the hydroxy groups of zeolites, V. React Kinet Catal Lett 17, 47–50 (1981). https://doi.org/10.1007/BF02069514
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DOI: https://doi.org/10.1007/BF02069514