XPS study of carbonation of Mn/Y2O3 catalysts

Ikonnikov, I. A.; Voskoboinikov, T. V.; Loginov, A. Yu.

doi:10.1007/bf02076125

Cited by 2 publications

(2 citation statements)

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“…The second step is highly exothermic (58.2 kcal/mol) and could be an alternative route for formation of ozonide and regeneration of the active site. Moreover, in EPR studies on MgO and Pd/ZrO, O 3 - has been shown to gradually decompose to O 2 - . , An alternative route for ozonide ion decomposition could be formation of molecular oxygen which is also calculated to be exothermic (28.5 kcal/mol). So, for increased coverage of surface oxygen anion species, different reaction routes for regeneration of the reactive surface species may be thermodynamically feasible.…”

Section: Resultsmentioning

confidence: 99%

“…The activation barrier for step 3 was estimated to be as low as about 5 kcal/mol. In transition metal exchanged zeolites, O - can be formed, for instance in the formation of a Cu 2+ −O - pair in Cu/ZSM-5. , Tuyen et al have also observed O 3 - for the N 2 O decomposition on Pd/ZrO 2 in their EPR study . They suggested that this anion is gradually decomposed to O 2 - .…”

Section: Introductionmentioning

confidence: 97%

See 1 more Smart Citation

Quantum Chemical Study on the Decomposition of N₂O with O^-, O₂^-, and O₃^-

Karlsen¹,

Pettersson²

2003

J. Phys. Chem. A

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High-level quantum chemical calculations have been performed on the decomposition reactions of N2O with cation-stabilized oxygen species (O-, O2 -, and O3 -), which compose a model catalytic cycle where O2 - is regenerated. The calculated results show that O- and O3 - can be expected to be the most active species in the N2O decomposition process, with activation barriers at the multiconfigurational second-order perturbation level (CASPT2) of 29.5 and 32.5 kcal/mol, respectively. The calculated activation barrier for N2O decomposition through reaction with O2 - is 40.8 kcal/mol. Comparison with experiments involving these species on metal-oxide substrates indicates the role of the ionic surface to reduce the barriers.

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