QM/MM study of the reactivity of zeolite bound methoxy and carbene groups
Stefan A. F. Nastase, Andrew J. Logsdail, C. Richard A. Catlow
Abstract
The conversion of methanol-to-hydrocarbons (MTH) is known to occur via an autocatalytic process in zeolites, where framework-bound methoxy species convert to different types of hydrocarbons, but the exact reaction routes leading to the first C–C bond remain elusive.
Topics & Concepts
CarbeneZeoliteReactivity (psychology)ChemistryMedicinal chemistryComputational chemistryOrganic chemistryCatalysisMedicineAlternative medicinePathologyZeolite Catalysis and SynthesisAdvanced Chemical Physics StudiesAdvanced NMR Techniques and Applications