An infrared study of CO2 activation by holmium ions, Ho+ and HoO+

Brewer, Edward I; Green, Alice; Gentleman, Alexander S.; Beardsmore, Peter W.; Pearcy, Philip A. J.; Meizyte, Gabriele; Pickering, Jack; Mackenzie, Stuart R.

doi:10.1039/d2cp02862j

Cited by 15 publications

(19 citation statements)

References 44 publications

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“…Stabilizing zirconia by yttria increases the number of oxygen vacancies, provides basic sites, and hence improves the dissociation of carbon dioxide, as per eq . The addition of holmium oxide (Ho 2 O 3 ) would also contribute to the enhancement of the adsorption of carbon dioxide via its binding to Ho 3+ ions and the formation of radical carbonate anions, which, in turn, facilitates the activation of terminal CO bonds …”

Section: Resultsmentioning

confidence: 99%

“…The addition of holmium oxide (Ho 2 O 3 ) would also contribute to the enhancement of the adsorption of carbon dioxide via its binding to Ho 3+ ions and the formation of radical carbonate anions, which, in turn, facilitates the activation of terminal C� O bonds. 46 The adsorbed oxygen radical would react with the products of methane decomposition, that is, carbon and hydrogen. Thus, it is useful for the removal of coke carbon from the surface of nickel metal, 44 as shown in eq 8 (8) Where C Ni is carbon deposited on the surface of nickel metal.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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Effect of Holmium Oxide Loading on Nickel Catalyst Supported on Yttria-Stabilized Zirconia in Methane Dry Reforming

et al. 2022

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The carbon dioxide reforming of methane has attracted attention from researchers owing to its possibility of both mitigating the hazards of reactants and producing useful chemical intermediates. In this framework, the activity of the nickel-based catalysts, supported by yttria-stabilized zirconia and promoted with holmium oxide (Ho2O3), was assessed in carbon dioxide reforming of methane at 800 °C. The catalysts were characterized by N2-physisorption, H2 temperature-programmed reduction, temperature-programmed desorption of CO2, X-ray diffraction, scanning electron microscopy (SEM) together with energy-dispersive X-ray spectroscopy, transmission electron microscopy (TEM), and thermogravimetric analysis (TGA) techniques. The effect of holmium oxide weight percent loading (0.0, 1.0, 2.0, 3,0, 4.0, and 5.0 wt %) was examined owing to its impact on the developed catalysts. The optimum loading of Ho2O3 was found to be 4.0 wt %, where the methane and carbon dioxide conversions were 85 and 91%, respectively. The nitrogen adsorption–desorption isotherms specified the mesoporous aspect of the catalysts, while the SEM images displayed a morphology of agglomerated, porous particles. The TEM images of the spent catalyst displayed the formation of multiwalled carbon nanotubes. TGA of the 4.0 wt % of Ho2O3 catalyst, experimented over 7-hour time-on-stream, displayed little weight loss (<14.0 wt %) owing to carbon formation, indicating the good resistance of the catalyst to carbon accumulation due to the enhancing ability of Ho2O3 and its adjustment of the support.

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Section: Resultsmentioning

confidence: 99%

Section: ■ Results and Discussionmentioning

confidence: 99%

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Effect of Holmium Oxide Loading on Nickel Catalyst Supported on Yttria-Stabilized Zirconia in Methane Dry Reforming

et al. 2022

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“…The experimental setup has been described in detail previously , and modified recently to include the mass selection of ions via a quadrupole mass filter . Briefly, a rotating disc target of the required metal (Co, Rh, or Ir) is ablated at 532 nm by a pulsed Nd:YAG laser (10 Hz, ca.…”

Section: Experimental and Computational Methodsmentioning

confidence: 99%

An Infrared Study of Gas-Phase Metal Nitrosyl Ion–Molecule Complexes

et al. 2022

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We present a combined experimental and quantum chemical study of gas-phase group 9 metal nitrosyl complexes, M(NO) n + (M = Co, Rh, Ir). Experimental infrared photodissociation spectra of mass-selected ion-molecule complexes are presented in the region 1600 cm–1 to 2000 cm–1 which includes the NO stretch. These are interpreted by comparison with the simulated spectra of energetically low-lying structures calculated using density functional theory. A mix of linear and nonlinear ligand binding is observed, often within the same complex, and clear evidence of coordination shell closing is observed at n = 4 for Co(NO) n + and Ir(NO) n +. Calculations of Rh(NO) n + complexes suggest additional low-lying five-coordinate structures. In all cases, once a second coordination shell is occupied, new spectral features appear which are assigned to (NO)2 dimer moieties. Further evidence of such motifs comes from differences in the spectra recorded in the dissociation channels corresponding to single and double ligand loss.

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“… 16 , 31 , 52 , 53 In contrast to activation by pure metallic clusters, where carbonyl (CO) formation is observed, activation by metal oxides can lead to the formation of a carbonate radical anion moiety, [CO 3 ] − . 30 , 54 …”

Section: Introductionmentioning

confidence: 99%

Carbon Dioxide and Water Activation by Niobium Trioxide Anions in the Gas Phase

et al. 2023

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Transition metals are important in various industrial applications including catalysis. Due to the current concentration of CO 2 in the atmosphere, various ways for its capture and utilization are investigated. Here, we study the activation of CO 2 and H 2 O at [NbO 3 ] − in the gas phase using a combination of infrared multiple photon dissociation spectroscopy and density functional theory calculations. In the experiments, Fourier-transform ion cyclotron resonance mass spectrometry is combined with tunable IR laser light provided by the intracavity free-electron laser FELICE or optical parametric oscillator-based table-top laser systems. We present spectra of [NbO 3 ] − , [NbO 2 (OH) 2 ] − , [NbO 2 (OH) 2 ] − (H 2 O) and [NbO(OH) 2 (CO 3 )] − in the 240–4000 cm –1 range. The measured spectra and observed dissociation channels together with quantum chemical calculations confirm that upon interaction with a water molecule, [NbO 3 ] − is transformed to [NbO 2 (OH) 2 ] − via a barrierless reaction. Reaction of this product with CO 2 leads to [NbO(OH) 2 (CO 3 )] − with the formation of a [CO 3 ] moiety.

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An infrared study of CO₂ activation by holmium ions, Ho⁺ and HoO⁺

Abstract: We report a combined experimental and computational study of carbon dioxide activation at gas-phase Ho+ and HoO+ centres. Infrared action spectra of Ho(CO2)n+ and [HoO(CO2)n]+ ion-molecule complexes have been recorded...

Cited by 15 publications

References 44 publications

Effect of Holmium Oxide Loading on Nickel Catalyst Supported on Yttria-Stabilized Zirconia in Methane Dry Reforming

Effect of Holmium Oxide Loading on Nickel Catalyst Supported on Yttria-Stabilized Zirconia in Methane Dry Reforming

An Infrared Study of Gas-Phase Metal Nitrosyl Ion–Molecule Complexes

Carbon Dioxide and Water Activation by Niobium Trioxide Anions in the Gas Phase

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