INCAPE 05401
INSTITUTO DE INVESTIGACIONES EN CATALISIS Y PETROQUIMICA "ING. JOSE MIGUEL PARERA"
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Identification of vibrational modes of toluene adsorbed on NaMOR
Autor/es:
CABANA, NANCY; BOIX, ALICIA; BOLCATTO, PABLO
Lugar:
Rio de janeiro
Reunión:
Conferencia; 18th International Zeolite Conference; 2016
Resumen:
Using a DFT-based calculation, the vibrational modesof toluene molecules consistent with adsorptiongeometries were calculated. The results are in verygood agreement with experimental trends. When thetoluene is adsorbed the spectrum of vibrations isshifted towards lower frequencies. The more clearevidence is that the vibrations of higher energies aretotally vanished when the zeolite adsorbs the toluenemolecule
