Issue 6, 2004

Interaction of silver atoms with ethylene in Ag-SAPO-11 molecular sieve: an EPR and DFT study

Abstract

The formation of silver–ethylene complexes in dehydrated Ag-SAPO-11 molecular sieve have been observed by electron paramagnetic resonance spectroscopy (EPR) after γ-irradiation at 77 K. Such reactive intermediate can play an important role in catalytic conversion of ethylene on silver loaded molecular sieves. The Ag(C2H4)2 stabilized inside relatively small channels of SAPO-11 molecular sieve it is observed even at 290 K. The ‘gas-phase’ geometries of Ag(C2H4) and Ag(C2H4)2 complexes, and respective hyperfine coupling constants were calculated applying DFT quantum chemical methods. The hyperfine coupling constants calculated for Ag(C2H4)2 complex of D2h symmetry are in very good agreement with those obtained experimentally.

Article information

Article type
Paper
Submitted
07 Nov 2003
Accepted
20 Jan 2004
First published
12 Feb 2004

Phys. Chem. Chem. Phys., 2004,6, 1165-1168

Interaction of silver atoms with ethylene in Ag-SAPO-11 molecular sieve: an EPR and DFT study

M. Danilczuk, D. Pogocki, A. Lund and J. Michalik, Phys. Chem. Chem. Phys., 2004, 6, 1165 DOI: 10.1039/B314295G

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