COMPARATIVE INVESTIGATION OF THE ELECTRONIC-STRUCTURE AND ACIDIC PROPERTIES OF ALUMINOPHOPHATES AND OF SILICOALUMINOPHOSPHATES

Authors
BELETSKII IP GORLOV YI GREBENYUK AG KLYMENKO VE
Citation
Ip. Beletskii et al., COMPARATIVE INVESTIGATION OF THE ELECTRONIC-STRUCTURE AND ACIDIC PROPERTIES OF ALUMINOPHOPHATES AND OF SILICOALUMINOPHOSPHATES, Reaction kinetics and catalysis letters, 50(1-2), 1993, pp. 377-382
Citations number
8
Categorie Soggetti
Chemistry Physical
Journal title
Reaction kinetics and catalysis letters → ACNP
ISSN journal
01331736
Volume
50
Issue
1-2
Year of publication
1993
Pages
377 - 382
Database
ISI
SICI code
0133-1736(1993)50:1-2<377:CIOTEA>2.0.ZU;2-8
Abstract
The spatial and electronic structures of alumino- and silicoaluminopho sphates have been investigated by quantum chemical SCF MO LCAO MNDO me thod. The implantation of silicon atoms into aluminophosphate matrix a ffects mainly the structure of aluminophosphate tetrahedra. The hydrox y groups at phosphorus atoms which possess the main Bronsted acidity a re the sites of the strongest water molecule binding.