FTIR spectroscopy of adsorbed ozone

Цыганенко, А. А.; Aminev, Timur; Baranov, D. A.; Pestsov, Oleg S.

doi:10.1016/j.cplett.2020.138071

Cited by 5 publications

(10 citation statements)

References 21 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In contrast, our data on isotopic splitting support monodentate species where the molecule is no longer symmetrical and there are no equivalent oxygen atoms. A profound analysis of the experimental data, partially presented in [8], in comparison with the DFT calculations of isotopically substituted ozone complexes, clarifies this point.…”

Section: Introductionmentioning

confidence: 83%

“…The experimental setup and the procedure of ozone adsorption have previously been described in detail [6][7][8]. The low-temperature stainless steel cell for studying the infrared spectra of adsorbed species was described elsewhere [11].…”

Section: Ftir Spectroscopymentioning

confidence: 99%

“…When ozone is adsorbed at 77 K on titanium dioxide pretreated at 773 K, two groups of bands arise [7,8]. One, with bands of stretching vibrations at 1109 and 1034 cm −1 accompanied by a weak band of combination ν 1+3 mode at 2107 cm −1 (close in position to those of free or dissolved ozone), gradually diminishes in intensity until almost disappearing after about 1 h. Weaker bands of another group with the maxima of fundamental vibrations at 1147 and 993-989 cm −1 and a combination at 2136 cm −1 are more stable and resist at 77 K.…”

Section: Ftir Spectroscopy Datamentioning

confidence: 99%

“…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%

“…Recent data on the splitting of the ν 1+3 combination band of chemisorbed ozone into eight maxima testified to the decrease in the symmetry of molecules which were supposed to be bound to the surface Ti 4+ ion by one of the terminal atoms, forming a kind of monodentate complex [8]. However, the DFT calculation of ozone adsorbed on nanocrystalline TiO 2 [10] has shown that while a triplet monodentate complex, where the molecule is bound to titanium atom via one of the terminal oxygen atoms, is the most stable, the computed difference between the frequencies of ν 1 and ν 3 vibrations is in a better agreement with the experimental values for singlet bidentate species.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry

Aminev¹,

Крауклис²,

Pestsov³

et al. 2021

Applied Sciences

View full text Add to dashboard Cite

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.

show abstract

Section: Introductionmentioning

confidence: 83%

Section: Ftir Spectroscopymentioning

confidence: 99%

Section: Ftir Spectroscopy Datamentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry

Aminev¹,

Крауклис²,

Pestsov³

et al. 2021

Applied Sciences

View full text Add to dashboard Cite

show abstract

Role of water on ozonation of cinnamaldehyde to benzaldehyde under Ca(OH)2 catalysis: A combined in situ DRIFTS and DFT study

Luo

Hou

Xie

et al. 2021

Applied Surface Science

View full text Add to dashboard Cite

Cataluminescence System Coupled with Vacuum Desorption–Sampling Methodology for Real-Time Ozone Sensing during the Self-Decomposition Process on Functional Boron Nitride

Wei

Yan

et al. 2022

Anal. Chem.

View full text Add to dashboard Cite

The treatment and detection of ozone have been widely studied in recent decades with respect to toxicity and contamination, while the measurement method of ozone is relatively toneless. Fortunately, a new concept of the cataluminescence (CTL) sensor provides a scheme of real-time ozone sensing in a tiny system. Here, a novel CTL sensor system was specially developed with silica-hydroxyl functional boron nitride as the sensing material for rapid and sensitive ozone detection. Coupled with the construction of a pulse vacuum static sampling system, ozone on the surface of sensing material can be desorbed rapidly and can step into the next detection circulation in a few seconds. Based on the strong emission initiated by the transient of reactive oxygen species (ROS) including singlet oxygen, a trioxide group, and an oxygen radical, the detection limit of ozone could be optimized to be as low as 51.2 ppb. Besides, the sensor system exhibited remarkable anti-interference performance in which humidity changes and common VOCs do not disturb or weakly disturb ozone sensing, and the CTL mechanism of the multistep degradation process was further discussed on the basis of multiple pieces of experimental evidence and a DFT transient calculation. A real-time degradation–sensing module was further attached to the system to realize the functions of ozone decomposition and real-time monitoring.

show abstract

FTIR spectroscopy of adsorbed ozone

Cited by 5 publications

References 21 publications

Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry

Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry

Role of water on ozonation of cinnamaldehyde to benzaldehyde under Ca(OH)2 catalysis: A combined in situ DRIFTS and DFT study

Cataluminescence System Coupled with Vacuum Desorption–Sampling Methodology for Real-Time Ozone Sensing during the Self-Decomposition Process on Functional Boron Nitride

Contact Info

Product

Resources

About