Issue 19, 1997

On the formation of titanyl (Ti[double bond, length half m-dash]O) groups in mesoporous and microporous titanosilicate catalysts: a computational study

Abstract

Density functional theory calculations are reported which suggests that titanyl groups, TiIV[double bond, length half m-dash]O, can form by relatively low energy pathways in titanium(IV) silicate catalysts, thereby providing a possible route to the active oxygen donating site responsible for partial oxidation reactions in these materials.

Article information

Article type
Paper

Chem. Commun., 1997, 1881-1882

On the formation of titanyl (Ti[double bond, length half m-dash]O) groups in mesoporous and microporous titanosilicate catalysts: a computational study

P. E. Sinclair and C. Richard A. Catlow, Chem. Commun., 1997, 1881 DOI: 10.1039/A704567K

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