Spectroscopy, energetics and siting of NH+ 4 in zeolites; theory and experiment

Tipo de material: Texto

TextoSeries ; Proceedings from the ninth international zeolite conference, p.469-478, 1992Trabajos contenidos:

Teunissen, E.H
Jacobs, W.P.J.H
Jansen, A.P.J
Van Santen, R.A

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Resumen: The adsorption of an ammonia molecule onto an acidic zeolite and the proton transfer from the zeolite to the ammonia are studied by quantum chemical methods. The NH^~ is adsorbed with two or three hydrogen bonds to the zeolite. The calculated vibrational frequencies explain the experimental infra-red spectra.

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The adsorption of an ammonia molecule onto an acidic zeolite and the proton transfer from the zeolite to the ammonia are studied by quantum chemical methods. The NH^~ is adsorbed with two or three hydrogen bonds to the zeolite. The calculated vibrational frequencies explain the experimental infra-red spectra.

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