Publication | Closed Access
Ab initio molecular orbital calculations on the acidic properties of boralite
17
Citations
0
References
1987
Year
Materials ScienceInorganic ChemistryAluminium FormsBoron NitrideBridged Hydroxy GroupEngineeringInorganic MaterialNatural SciencesGeometric PropertiesComputational ChemistryQuantum ChemistryChemistryHydrogenZeoliteAcidic PropertiesCrystallographyAb-initio MethodBorophene
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.