Abstract
The adsorption of ethylene followed by its transformation on zeolite ZSM-5 completely substituted by monovalent gallium cations (Ga+) was studied by diffuse reflectance IR spectroscopy (DRIFT) and quantum chemistry. Ethylene oligomerization without participation of Bronsted acid sites can occur on Ga+/ZSM-5 already at 300 K. Cluster calculations of variants of ethylene activation on the Ga+ cation in the cationic position of the zeolite were performed using the density functional theory (DFT). One of the routes for the formation of oligomeric chains can be the formation of cyclic saturated hydrocarbon structures with the gallium cation. The removal of the formed oligomers from the gallium center in the form of a saturated hydrocarbon cycle (cyclobutane, cyclohexane) is energetically hindered. The mechanism of hydrogenation of oligomeric structures on the gallium center resulting in hydrocarbon-gallium ring opening followed by oligomer adsorption is considered.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
