Theoretical and FTIR Investigations of the Acetonitrile Hydrogenation Pathways on Platinum

Vogt, Lautaro; Schulte, Erica Daniela; Collins, Sebastián Enrique; Quaino, Paola Monica

info:eu-repo/semantics/article

Fecha

2019-09

Registro en:

Vogt, Lautaro; Schulte, Erica Daniela; Collins, Sebastián Enrique; Quaino, Paola Monica; Theoretical and FTIR Investigations of the Acetonitrile Hydrogenation Pathways on Platinum; Springer/Plenum Publishers; Topics In Catalysis; 62; 9-2019; 1076–1085

1022-5528

http://hdl.handle.net/11336/110137

CONICET Digital

CONICET

https://repositorioslatinoamericanos.uchile.cl/handle/2250/4327462

Autor

Vogt, Lautaro

Schulte, Erica Daniela

Collins, Sebastián Enrique

Quaino, Paola Monica

Institución

Consejo Nacional de Investigaciones Científicas y Tecnológicas (Argentina)

Resumen

The hydrogenation reaction of acetonitrile adsorbed on a platinum surface to produce amines has been investigated by theoretical and in situ infrared studies. An energetic, kinetics and vibrational analysis have been performed to unravel the elementary steps of the reaction and to clarify the mechanism. The comparison with the experiments allows us to identify an imine as a crucial intermediate for this reaction.

Materias

DFT

IN SITU FTIR

NITRILE HYDROGENANTION

PLATINUM

Mostrar el registro completo del ítem