IR spectra of ozone adsorbed on MgO

Berlier, Gloria; Yamamoto, Takashi; Spoto, Giuseppe; Lamberti, Carlo; Грибов, Е. Н.; Zecchina, Adriano

doi:10.1039/b202253b

Cited by 17 publications

(7 citation statements)

References 23 publications

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“…A number of studies have been performed on the adsorption of O 3 onto various mineral oxides, using electron paramagnetic resonance, infrared spectroscopy and kinetic measurement techniques (Dhandapani and Oyama, 1997). The surfaces examined were among others: γ -Al 2 O 3 (Klimovskii et al, 1983;Bulanin et al, 1995a;Thomas et al, 1997), SiO 2 (Bulanin et al, 1994), TiO 2 (Bulanin et al, 1995a(Bulanin et al, , 1995b, CaO (Bulanin et al, 1997) and MgO (Bulanin et al, 1995a;Berlier et al, 2002). A few semi-quanitative studies on the interaction between ozone and authentic mineral dust have been published (Suzuki et al, 1979;Alebic-Juretic et al, 1992;Alebic-Juretic et al, 2000), and initial uptake coefficients for O 3 uptake onto synthetic and authentic minerals have been measured (Michel et al, 2002).…”

Section: Introductionmentioning

confidence: 99%

Ozone decomposition on Saharan dust: an experimental investigation

2003

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Abstract. The heterogeneous reaction between O 3 and authentic Saharan dust surfaces was investigated in a Knudsen reactor at ≈ 296 K. O 3 was destroyed on the dust surface and O 2 was formed with conversion efficiencies of 1.0 and 1.3 molecules O 2 per O 3 molecule destroyed for unheated and heated samples, respectively. No O 3 desorbed from exposed dust samples, showing that the uptake was irreversible. The uptake coefficients for the irreversible destruction of O 3 on (unheated) Saharan dust surfaces depended on the O 3 concentration and varied between 3.5 × 10 −4 and 5.5 × 10 −6 for the initial uptake coefficient (γ 0 ≈ 3 × 10 −5 at 30 ppbv O 3 STP) and between 4.8 × 10 −5 and 2.2 × 10 −6 for the steady-state uptake coefficient (γ ss ≈ 7 × 10 −6 at 30 ppbv O 3 STP). At very high O 3 concentrations the surface was deactivated, and O 3 uptake ceased after a certain exposure period. Sample re-activation (i.e. de-passivation) was found to occur over periods of hours, after exposure to O 3 had ceased, suggesting that re-activation processes play a role both in the laboratory and in the atmosphere.

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Section: Introductionmentioning

confidence: 99%

Ozone decomposition on Saharan dust: an experimental investigation

2003

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“…Although the problem is of extreme importance for industry and ecology, the number of spectral studies regarding ozone adsorption is limited, apparently because of the technical difficulties of working with this highly active and unstable compound. Using low-temperature FTIR spectroscopy it was possible to study ozone adsorbed on SiO 2 [1][2][3], Al 2 O 3 [4], MgO [5], CaO [6], TiO 2 [2,7,8], CeO 2 [8,9], ZnO, and some zeolites [8]. In the spectra of TiO 2 and CeO 2 , besides the bands of weakly bound molecules, ozone chemisorption with serious frequency shifts with respect to the band positions of physisorbed molecules were observed.…”

Section: Introductionmentioning

confidence: 99%

Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry

Aminev¹,

Крауклис²,

Pestsov³

et al. 2021

Applied Sciences

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The adsorption of different isotopic ozone mixtures on TiO2 at 77K was studied using FTIR spectroscopy and DFT calculations of cluster models. In addition to weakly bound ozone with band positions close to those of free or dissolved molecules, the spectrum of chemisorbed species was observed. The splitting of the ν1+3 combination band to eight maxima due to different isotopomers testified to the loss of molecule symmetry. The frequencies of all the isotopic modifications of the ozone molecules which form monodentate or bidentate complexes with four- or five-coordinated titanium atoms were calculated and compared with those of experimentally observed spectra. The four considered complexes adequately reproduced the splitting of the ν1+3 vibration band and the lowered anharmonism of chemisorbed O3. The energetically most favorable monodentate complex with four-coordinated titanium atoms showed good agreement with the observed spectra, although a large difference between the frequencies of ν1 and ν3 modes was found. For better coherence with the experiment, the interaction of the molecule with adjacent cations must be considered.

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“…For this reason, studies on ozone’s physicochemical reaction pathways are of great importance, which is readily demonstrated by a plethora of scientific publications including spectroscopic reports. Ozone was studied in a gas phase − isolated in cryomatrices, , in cryosolutions, − and in an adsorbed state, − to name a few. With respect to reduction of the environmental impact of ozone, its adsorption is of particular interest.…”

Section: Introductionmentioning

confidence: 99%

“…One of the approaches applicable to study adsorption of ozone is Fourier transform infrared spectroscopy. This technique was extensively used to investigate ozone on various substrates including powdered oxides (SiO 2 , TiO 2 , CaO, CeO 2 , Al 2 O 3 , and MgO) and amorphous water ice . It was found that depending on the nature of the adsorption site, ozone may act either as a base or as an acid forming weak superficial complexes at low temperatures.…”

Section: Introductionmentioning

confidence: 99%

Ab Initio Insight into Mechanisms of Ozone Interaction with a Surface of Dehydrated Nanocrystalline TiO₂

2020

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Density functional theory (DFT) study of ozone adsorption on dehydrated nanocrystalline TiO2 is presented. Singlet and triplet binding modes of ozone to the oxide’s titanium cations are considered. In both the modes, monodentate and bidentate ozone complexes are formed. According to DFT, the triplet monodentates are the most stable species. The formation of monodentate ozone adsorption complexes is in-line with an earlier interpretation of infrared (IR) spectroscopic data on ozone adsorption on an anatase surface. However, the computed difference in the fundamental vibrational frequencies (ν1 – ν3) of ozone in the triplet monodentates is significantly larger than the corresponding IR value. This discrepancy is resolved by demonstrating that the triplet monodentates readily decompose, realizing molecular oxygen that is consistent with published experimental data. The predicted energy barrier of the dissociative adsorption is less than 2 kcal/mol. In contrast, the computed difference in the fundamental vibrational frequencies (ν1 – ν3) of adsorbed ozone in the singlet bidentates perfectly agrees with the experiment.

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IR spectra of ozone adsorbed on MgO

Cited by 17 publications

References 23 publications

Ozone decomposition on Saharan dust: an experimental investigation

Ozone decomposition on Saharan dust: an experimental investigation

Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry

Ab Initio Insight into Mechanisms of Ozone Interaction with a Surface of Dehydrated Nanocrystalline TiO₂

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IR spectra of ozone adsorbed on MgO

Cited by 17 publications

References 23 publications

Ozone decomposition on Saharan dust: an experimental investigation

Ozone decomposition on Saharan dust: an experimental investigation

Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry

Ab Initio Insight into Mechanisms of Ozone Interaction with a Surface of Dehydrated Nanocrystalline TiO2

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Product

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Ab Initio Insight into Mechanisms of Ozone Interaction with a Surface of Dehydrated Nanocrystalline TiO₂