Room temperature spontaneous conversion of OCS to CO2 on the anatase TiO2 surface.

  title={Room temperature spontaneous conversion of OCS to CO2 on the anatase TiO2 surface.},
  author={Svatopluk Civi{\vs} and Martin Ferus and Judit E. {\vS}poner and Jiř{\'i} {\vS}poner and Ladislav Kavan and Mark{\'e}ta Zukalov{\'a}},
  journal={Chemical communications},
  volume={50 57},
High-resolution FT-IR spectroscopy combined with quantum chemical calculations was used to study the chemistry of OCS-disproportionation over the reduced surface of isotopically labelled, nanocrystalline TiO2. Analysis of the isotopic composition of the product gases has revealed that the reaction involves solely OCS molecules from the gas-phase. Using quantum chemical calculations we propose a plausible mechanistic scenario, in which two reduced Ti(3+) centres mediate the reaction of the… 

Figures from this paper

TiO2-catalyzed synthesis of sugars from formaldehyde in extraterrestrial impacts on the early Earth

It is demonstrated that a laser-induced high-energy chemistry combined with TiO2 catalysis readily produces a mixture of pentoses, among them ribose, arabinose and xylose, which might be highly relevant to the Late Heavy Bombardment period of Earth’s history about 4–3.85 billion years ago.

Spontaneous oxygen isotope exchange between carbon dioxide and oxygen containing minerals (Do the minerals “breathe” CO2?)

Spontaneous isotopic exchange of oxygen atoms between dry powdered Ti16O2 oxygen containing minerals and gaseous C18O2 was studied using gas phase high-resolution Fourier transform infrared

Corrigendum: TiO2-catalyzed synthesis of sugars from formaldehyde in extraterrestrial impacts on the early Earth

Corrigendum: TiO 2 -catalyzed synthesis of sugars from formaldehyde in extraterrestrial impacts on the early Earth and the role of carbon dioxide in these impacts is investigated.

Spontaneous and photoinduced conversion of CO2 on TiO2 anatase

  • S. CivišM. Ferus
  • Chemistry
    2015 17th International Conference on Transparent Optical Networks (ICTON)
  • 2015
Spontaneous isotopic exchange of oxygen atoms between gaseous C18O2 and Ti16O2 nanoparticles has been studied using high-resolution Fourier transform infrared absorption and first principles density



Theoretical study of interfacial electron transfer from reduced anatase TiO2(101) to adsorbed O2.

We study the electron transfer from a reduced TiO2 surface to an approaching O2 molecule using periodic hybrid density functional calculations. We find that the formation of an adsorbed superoxo

Mechanism of Oxygen Exchange between CO2 and TiO2(101) Anatase

The mechanism of oxygen exchange between CO2 and a defective anatase (101) surface was investigated by density functional theory calculations including corrections for long-range dispersion

Oxygen-isotope labeled titania: Ti(18)O2.

(18)O-isotope labelled titania (anatase, rutile) was synthesized and the interaction with carbon dioxide was investigated using high-resolution FTIR spectroscopy, and the oxygen isotope exchange at the Ti(18)/C(16)O(2) interface was elucidated.

CO2 adsorption on TiO2(101) anatase: a dispersion-corrected density functional theory study.

Adsorption, diffusion, and dissociation of CO(2) on the anatase (101) surface were investigated using dispersion-corrected density functional theory and subsurface oxygen vacancy or interstitial Ti defects are found to enhance the bonding of CO (2) molecules to the surface.

Photochemistry and Gas-Phase FTIR Spectroscopy of Formic Acid Interaction with Anatase Ti18O2 Nanoparticles

The photoinduced isotope exchange between 18O atoms in the lattice of vacuum-calcinated solid Ti18O2 and 16O atoms of formic acid and its photoproducts was studied with gas-phase high-resolution

Oxygen atom transfer in the photocatalytic oxidation of alcohols by TiO2: oxygen isotope studies.

An unexpected phenomenon is disclosed: when the photocatalytically oxidative transformation of isotopelabeled alcohols was performed over pure anatase TiO2 in organic solvents, such as benzotrifluoride (BTF), the oxygen atom in the substrate alcohol is completely replaced by one of the oxygen atoms of dioxygen.

Insights into Photoexcited Electron Scavenging Processes on TiO2 Obtained from Studies of the Reaction of O2 with OH Groups Adsorbed at Electronic Defects on TiO2 (110)

In this study we show that molecular oxygen reacts with bridging OH (OHbr) groups formed as a result of water dissociation at oxygen vacancy defects on the surface of rutile TiO2(110). The electronic

Oxygen-Isotope Exchange between CO2 and Solid Ti18O2

The light–induced oxygen-isotope exchange between gaseous CO2 and solid Ti18O2 (anatase) and the spontaneous thermal isotope exchange that takes place between the vacuum-calcined solid Ti18O2 and CO2

FTIR Study of Adsorption and Photoassisted Oxygen Isotopic Exchange of Carbon Monoxide, Carbon Dioxide, Carbonate, and Formate on TiO2

In-situ FTIR has been employed to investigate adsorption and photoassisted oxygen scrambling of CO, CO2, CO3, and HCOO on powdered TiO2 with 18O2. As clean TiO2 is exposed to CO at 35 °C, the IR