Spectroscopy, energetics and siting of NH+ 4 in zeolites; theory and experiment
Spectroscopy, energetics and siting of NH+ 4 in zeolites; theory and experiment
- Proceedings from the ninth international zeolite conference, p.469-478, 1992 .
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.
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.