Accession Number:

ADA207325

Title:

Oxygen Transfer to Ethylene Catalyzed by the AG(110) Surface

Descriptive Note:

Technical rept.

Corporate Author:

CORNELL UNIV ITHACA NY DEPT OF CHEMISTRY

Personal Author(s):

Report Date:

1989-04-01

Pagination or Media Count:

42.0

Abstract:

The silver surface catalyzed epoxidation of ethylene using molecular oxygen as an oxygen donor been studied using extended Huckel calculations. Five types of absorbed molecular oxygen on an Ag110 surface have been considered, an end-on adsorption on top of silver, a peroxidic adsorbed molecular oxygen, both on a silver atom on the surface or bound to one in the second layer, and finally molecular oxygen bridging between two silver atoms in the 110 and the 001 direction. For atomic adsorbed oxygen four types of geometries have been considered two adsorption geometries on top of a silver atom, one on the surface and one in the second layer, and two bridging positions, one between two silver atoms in the 110 direction and the other in the 001 direction. The calculations indicate that the most probable adsorption sites for molecular oxygen are end-on or bridging between two silver atoms in the 110 or 001 directions for atomically absorbed oxygen the adsorption on top of a silver atom on the surface, or bridging between two silver atoms in the 110 direction, are favored.

Subject Categories:

  • Inorganic Chemistry
  • Organic Chemistry

Distribution Statement:

APPROVED FOR PUBLIC RELEASE