Infra-red study of the interaction of hydrogen sulphide and water with a magnesium oxide surface

Deane, A.M.; Griffiths, David L.; Lewis, Ivor A. S.; Winter, J. A.; Tench, A. J.

doi:10.1039/f19757101005

Cited by 17 publications

(8 citation statements)

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“…Upon C 2 H 2 , H 2 S, , NH 3 22 and H 2 ,, adsorption, a band at 3712 cm -1 is observed instead of that at 3740 cm -1 . Gribov et al assigned this band to isolated O 3C −H, in agreement with calculations performed with small unembedded clusters, whereas Knözinger et al assigned it to multicoordinated isolated OH groups.…”

Section: Discussionmentioning

confidence: 89%

Infrared Characterization of Hydroxyl Groups on MgO: A Periodic and Cluster Density Functional Theory Study

et al. 2007

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The infrared OH stretching frequencies of the various types of hydroxyl groups on MgO surfaces have been calculated by periodic (VASP) and cluster (Gaussian) DFT simulations. Surface irregularities (mono and diatomic steps, corners, step divacancies, and kinks) have been considered to model the IR spectra of hydroxylated MgO powders. A good correspondence between calculated and experimental frequencies is obtained with the B3LYP functional. Hydrogen-bonding is the parameter which influences most the IR frequency of OH groups, followed by location of OH groups in concave or convex areas of the surface and then oxygen coordination. The evolution of experimental IR spectra upon evacuation at increasing temperature can be rationalized on the basis of calculated thermal stabilities of each kind of OH groups. A new model is finally proposed to help assign the experimental bands, in terms of hydrogen-bonding, local topology of the hydroxylated sites, and coordination of oxygen.

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Section: Discussionmentioning

confidence: 89%

Infrared Characterization of Hydroxyl Groups on MgO: A Periodic and Cluster Density Functional Theory Study

et al. 2007

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“…At 130 °C, the intensity of the H 2 S band at 2579 cm –1 decreases and new bands ascribable to sulfate species appear at 800–1000 cm –1 . At 160 °C, the bands at 1615–1640 cm –1 are due to the H–OH bending vibration of H 2 O, and the new band at 2890 cm –1 is assigned to H-bonded water at high coverage . At 220 °C and 250 °C, the band intensity of sulfates increases, and there is a detection of new bands at 1132 and 1415 cm –1 assignable to SO 2 species (produced in S oxidation with lattice oxygen).…”

Section: Results and Discussionmentioning

confidence: 98%

“…78 At 160 °C, the bands at 1615−1640 cm −1 are due to the H−OH bending vibration of H 2 O, and the new band at 2890 cm −1 is assigned to H-bonded water at high coverage. 79 At 220 °C and 250 °C, the band intensity of sulfates increases, and there is a detection of new bands at 1132 and 1415 cm −1 assignable to SO 2 species (produced in S oxidation with lattice oxygen). These results demonstrate that the H 2 S oxidation over 8FeCe follows route (iii).…”

Section: Basic Propertymentioning

confidence: 97%

Highly Efficient Porous Fe_xCe_1–xO_2−δ with Three-Dimensional Hierarchical Nanoflower Morphology for H₂S-Selective Oxidation

Zheng

et al. 2020

ACS Catal.

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CeO2-based catalysts are potentially suitable for H2S-selective oxidation, but their practical application is limited due to the problem of sulfate formation. Herein, we report a facile citric acid-assisted hydrothermal process for the fabrication of porous Fe-doped CeO2 with flower-like morphology that can drastically promote the catalytic activities of CeO2 with high durability. Among the synthesized catalysts, the one with well-defined (110) and (100) planes is highly active for H2S-selective oxidation with H2S conversion and sulfur selectivity of almost 100% at 220 °C, superior to most of the reported Ce-based catalysts. Meanwhile, outstanding catalytic stability is achieved because the presence of Fe ions alleviates ceria deactivation due to sulfation. The results of systematic investigation prove that the doping of Fe not only raises the density of oxygen vacancies but also promotes the redox ability and oxygen activity of the catalyst. We conducted in situ DRIFTS (diffuse reflection infrared Fourier transform spectroscopy) experiments and density functional theory (DFT) calculations to disclose the reaction mechanism of H2S oxidation. The derived insights are important for the design of efficient ceria-related catalysts for practical applications.

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“…The pretreated MgO sample was exposed to 3 Torr of H2S for 10 min, and 3 Torr of SO2 was subsequently introduced. The sample was then irradiated with 254or 366-nm ultraviolet light for periods up to 48 h. Experiments were also carried out by irradiating MgO in 20 Torr of COS or 6 Torr of CS2.…”

Section: Methodsmentioning

confidence: 99%

Electron paramagnetic resonance evidence for the formation of dioxosulfate(1-) ion on magnesium oxide

Lin¹,

Lunsford²

1976

J. Phys. Chem.

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Formation of 820 on Magnesium Oxide 635 long axes with little if any effect on the crystal stabilization energy.Since the direction of the transition dipoles is not influenced by the order-disorder phenomenon, the crystal structure determined by Neely and Anex would be expected, at least to a first approximation, to have similar optical properties to the crystal structure described here. Nevertheless it should be noted in future that two crystal forms of BDP may be possible, and that it may be important to distinguish between them in order to understand in detail the optical properties of these crystals. ment Award (GM70585) from the Institute of General Medical Sciences. Supplementary Material Available: Table IV contains structure factor tables (10 pages). Ordering information is given on any current masthead page. References and Notes(1) Alfred P.

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Infra-red study of the interaction of hydrogen sulphide and water with a magnesium oxide surface

Cited by 17 publications

References 0 publications

Infrared Characterization of Hydroxyl Groups on MgO: A Periodic and Cluster Density Functional Theory Study

Infrared Characterization of Hydroxyl Groups on MgO: A Periodic and Cluster Density Functional Theory Study

Highly Efficient Porous Fe_xCe_1–xO_2−δ with Three-Dimensional Hierarchical Nanoflower Morphology for H₂S-Selective Oxidation

Electron paramagnetic resonance evidence for the formation of dioxosulfate(1-) ion on magnesium oxide

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Infra-red study of the interaction of hydrogen sulphide and water with a magnesium oxide surface

Cited by 17 publications

References 0 publications

Infrared Characterization of Hydroxyl Groups on MgO: A Periodic and Cluster Density Functional Theory Study

Infrared Characterization of Hydroxyl Groups on MgO: A Periodic and Cluster Density Functional Theory Study

Highly Efficient Porous FexCe1–xO2−δ with Three-Dimensional Hierarchical Nanoflower Morphology for H2S-Selective Oxidation

Electron paramagnetic resonance evidence for the formation of dioxosulfate(1-) ion on magnesium oxide

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Highly Efficient Porous Fe_xCe_1–xO_2−δ with Three-Dimensional Hierarchical Nanoflower Morphology for H₂S-Selective Oxidation