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Title: Propene oxidation over Cu[sub 2]O single-crystal surfaces: A surface science study of propene activation at 1 atm and 300 K

Abstract

Propene oxidation was studied on Cu[sub 2]O single-crystal surfaces using XPS and TDS in ultrahigh vacuum (UHV) following propene exposures at 300 K and atmospheric pressure. Three different Cu[sub 2]O surfaces were examined: A Cu[sup +]-terminated (100) surface, an oxygen-terminated (100) surface, and a (111) surface with accessible copper cations and lattice oxygen. Selective oxidation to acrolein is promoted by coordinately unsaturated surface lattice oxygen. No clear correlation between the formation of partial oxidation products and oxygen coordination was observed. Both selective and nonselective oxidation products are formed from lattice oxygen. The propene oxidation pathway proceeds through an allyloxy (CH[sub 2][double bond]CHCH[sub 2]O-) species where oxygen insertion occurs prior to the second hydrogen abstraction over Cu[sub 2]O. This conclusion was reached by comparing the propene TDS results from atmospheric pressure exposures with UHV allyl alcohol and acrolein thermal desorption data. The selective oxidation process over Cu[sub 2]O is subject to a [open quotes]pressure gap[close quotes] at 300 K with oxygen insertion occurring at higher pressures, presumably because of translational and collisional activation. However, the subsequent steps in the selective oxidation pathway can be effectively modeled by dissociative adsorption of oxygenates under UHV to simulate the oxygenated surface intermediates. 34 refs.,more » 8 figs., 1 tab.« less

Authors:
;  [1]
  1. Virginia Polytechnic Institute and State Univ., Blacksburg, VA (United States)
Publication Date:
OSTI Identifier:
5183221
Resource Type:
Journal Article
Journal Name:
Journal of Catalysis; (United States)
Additional Journal Information:
Journal Volume: 143:2; Journal ID: ISSN 0021-9517
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 10 SYNTHETIC FUELS; COPPER OXIDES; CATALYTIC EFFECTS; PROPYLENE; OXIDATION; CHEMICAL ACTIVATION; HETEROGENEOUS CATALYSIS; MILLER INDICES; PHOTOELECTRON SPECTROSCOPY; X-RAY SPECTROSCOPY; ALKENES; CATALYSIS; CHALCOGENIDES; CHEMICAL REACTIONS; COPPER COMPOUNDS; ELECTRON SPECTROSCOPY; HYDROCARBONS; ORGANIC COMPOUNDS; OXIDES; OXYGEN COMPOUNDS; SPECTROSCOPY; TRANSITION ELEMENT COMPOUNDS; 400201* - Chemical & Physicochemical Properties; 100200 - Synthetic Fuels- Production- (1990-)

Citation Formats

Schulz, K H, and Cox, D F. Propene oxidation over Cu[sub 2]O single-crystal surfaces: A surface science study of propene activation at 1 atm and 300 K. United States: N. p., 1993. Web. doi:10.1006/jcat.1993.1290.
Schulz, K H, & Cox, D F. Propene oxidation over Cu[sub 2]O single-crystal surfaces: A surface science study of propene activation at 1 atm and 300 K. United States. https://doi.org/10.1006/jcat.1993.1290
Schulz, K H, and Cox, D F. Fri . "Propene oxidation over Cu[sub 2]O single-crystal surfaces: A surface science study of propene activation at 1 atm and 300 K". United States. https://doi.org/10.1006/jcat.1993.1290.
@article{osti_5183221,
title = {Propene oxidation over Cu[sub 2]O single-crystal surfaces: A surface science study of propene activation at 1 atm and 300 K},
author = {Schulz, K H and Cox, D F},
abstractNote = {Propene oxidation was studied on Cu[sub 2]O single-crystal surfaces using XPS and TDS in ultrahigh vacuum (UHV) following propene exposures at 300 K and atmospheric pressure. Three different Cu[sub 2]O surfaces were examined: A Cu[sup +]-terminated (100) surface, an oxygen-terminated (100) surface, and a (111) surface with accessible copper cations and lattice oxygen. Selective oxidation to acrolein is promoted by coordinately unsaturated surface lattice oxygen. No clear correlation between the formation of partial oxidation products and oxygen coordination was observed. Both selective and nonselective oxidation products are formed from lattice oxygen. The propene oxidation pathway proceeds through an allyloxy (CH[sub 2][double bond]CHCH[sub 2]O-) species where oxygen insertion occurs prior to the second hydrogen abstraction over Cu[sub 2]O. This conclusion was reached by comparing the propene TDS results from atmospheric pressure exposures with UHV allyl alcohol and acrolein thermal desorption data. The selective oxidation process over Cu[sub 2]O is subject to a [open quotes]pressure gap[close quotes] at 300 K with oxygen insertion occurring at higher pressures, presumably because of translational and collisional activation. However, the subsequent steps in the selective oxidation pathway can be effectively modeled by dissociative adsorption of oxygenates under UHV to simulate the oxygenated surface intermediates. 34 refs., 8 figs., 1 tab.},
doi = {10.1006/jcat.1993.1290},
url = {https://www.osti.gov/biblio/5183221}, journal = {Journal of Catalysis; (United States)},
issn = {0021-9517},
number = ,
volume = 143:2,
place = {United States},
year = {1993},
month = {10}
}