INVESTIGADORES
FERREIRA Maria Lujan
artículos
Título:
A theoretical and experimental study of the possible phenytriethoxysilane species found on treated silica
Autor/es:
BELELLI, P.G.; FERREIRA, M.L.; DAMIANI, D.E.
Revista:
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 2000 vol. 159 p. 315 - 325
ISSN:
1381-1169
Resumen:
A modified extended Huckel molecular orbital (EHMO) method, which includes core-core repulsion terms, was used to study the silane adsorption on SiO2 surfaces. The SiO2 treated at 300°C was chemically modified with an alcoxysilane, phenyltriethoxysilane (PTES). Therefore, we study the possible adsorption of PTES on two planes (with isolated and geminal silanols) and the possible species formed once the reaction with a SiO2 surface is finished. Starting from this analysis, it is possible to evaluate the PTES selectivity to the different anchoring points on the SiO2 surface. (C) 2000 Elsevier Science B.V.
