We present first-principles molecular dynamics simulations of oxygen difluoride impinging upon the monohydrogenated Si{001}(2 × 1) surface. Adsorption occurred in fewer than 10% of our computed trajectories, but in each reactive case the initial step involved partial dissociation to yield an adsorbed fluorine atom and a free oxygen monofluoride radical. In one trajectory, the adsorbed fluorine atom displaced a hydrogen atom into an unusual Si-H-Si bridge position, consistent with three-centre two-electron bonding. In another, a Si-Si-F motif was created, consistent with three-centre four-electron bonding. Depending upon its recoil direction, the ubiquitous monofluoride species either migrated across the surface before itself reacting to form a Si-O-Si bridge and a second adsorbed fluorine atom, or desorbed intact as a gas-phase radical.
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http://dx.doi.org/10.1039/d4cp03375b | DOI Listing |
J Chromatogr A
December 2024
State Key Laboratory of Biogeology and Environmental Geology, China University of Geosciences, Wuhan 430074, China. Electronic address:
A novel magnetic mesoporous fluorinated metal-organic framework material (FeO@MIP-206-F) has been synthesized specifically for application as an adsorbent for perfluoroalkyl carboxylic acids (PFCAs) extraction by magnetic solid-phase extraction (MSPE). The carefully designed FeO@MIP-206-F material features an appropriate porosity, open metal sites of Zr, and functional groups (fluorine and amino) conducive to the adsorption process. The distinctive architecture of the material endows it with exceptional extraction capabilities for PFCAs.
View Article and Find Full Text PDFComp Biochem Physiol C Toxicol Pharmacol
December 2024
Edmonton, Alberta, Canada. Electronic address:
The effects of plastic pollution on marine organisms is of growing concern. The hydrophobic surface of plastics adsorbs organic contaminants and can alter the rate of chemical uptake in fishes. Per-fluorinated organic chemicals such as Perfluorooctanoic acid (PFOA) are highly hydrophobic toxic chemicals that adsorb to hydrophobic surfaces.
View Article and Find Full Text PDFEnviron Geochem Health
December 2024
School of Water Resources and Environmental Engineering, East China University of Technology, Nanchang, 330013, Jiangxi, People's Republic of China.
Fluoride contamination is a serious environmental problem in lepidolite hydrometallurgy wastewater. The treatment of fluoride-bearing wastewater is challenging because of the presence of coexisting ions including lithium (Li), rubidium (Rb), silicate (SiO), sulfate radical (SO). However, aluminum-modified zeolite (Al@zeolite) with sufficient hydroxyl groups and high adaptability has unique advantages for eliminating fluoride from lepidolite hydrometallurgy wastewater.
View Article and Find Full Text PDFJ Am Chem Soc
December 2024
State Key Laboratory of Fluorine & Nitrogen Chemicals, School of Chemical Engineering and Technology, Xi'an Jiaotong University, Xi'an, Shaanxi 710049, China.
Solid frustrated Lewis pair (FLP) shows remarkable advantages in the activation of small molecules such as CO, owing to the strong orbital interactions between FLP sites and reactant molecules. However, most of the currently constructed FLP sites are randomly distributed and easily reunited on the surface of catalysts, resulting in a low utilization rate of FLP sites. Herein, atomic tungsten-based FLP (N···W FLP) sites are constructed for photocatalytic CO conversion through introducing W single-atoms into polymeric carbon nitride.
View Article and Find Full Text PDFJ Hazard Mater
December 2024
Institute of Aquatic Ecology, HUN-REN Centre for Ecological Research Budapest, Hungary; National Laboratory for Water Science and Water Security, Institute of Aquatic Ecology, HUN-REN Centre for Ecological Research, Budapest, Hungary; Institute of Chemistry, Eötvös Loránd University, Budapest, Hungary. Electronic address:
The existing technologies in municipal wastewater treatment plants are ineffective in eliminating persistent fluorine-containing contaminants. At the same time, there is an increasing demand for novel organofluorine compounds, particularly in the production of lithium-ion batteries, as well as in the agrochemical and pharmaceutical sectors for more efficient ingredients. This implies that we must account for ongoing changes in the fluorine levels within riverine environments.
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