The combination of catalytic tests, IR spectroscopy of adsorbed reactants, products and possible intermediates together with a computational study as well as in situ IR spectra recorded during reaction allows giving a full description of the reaction network in the methylation of phenol. Under conditions favorable for methanol dehydrogenation to formaldehyde, o-cresol is the only reaction product. The reaction between adsorbed phenolate and formaldehyde likely generates salicylic alcohol via hydroxymethylation, which is rapidly dehydrogenated to salicylic aldehyde. The aldehyde is transformed into o-cresol via reduction by formaldehyde.
N. Ballarini, F. Cavani, L. Maselli, S. Passeri, J. Lercher (2009). On the mechanism of gas-phase methylation of phenol catalyzed by MgO: a combined computational, in-situ spectroscopic and reactivity approach. ROSTOCK : Leibniz-Institüt für Katalyse an der Universitat R.
On the mechanism of gas-phase methylation of phenol catalyzed by MgO: a combined computational, in-situ spectroscopic and reactivity approach
BALLARINI, NICOLA;CAVANI, FABRIZIO;MASELLI, LUCA;PASSERI, SAURO;
2009
Abstract
The combination of catalytic tests, IR spectroscopy of adsorbed reactants, products and possible intermediates together with a computational study as well as in situ IR spectra recorded during reaction allows giving a full description of the reaction network in the methylation of phenol. Under conditions favorable for methanol dehydrogenation to formaldehyde, o-cresol is the only reaction product. The reaction between adsorbed phenolate and formaldehyde likely generates salicylic alcohol via hydroxymethylation, which is rapidly dehydrogenated to salicylic aldehyde. The aldehyde is transformed into o-cresol via reduction by formaldehyde.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
