Search results for "OH RADICALS"

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Asymptotic potentials and rate constants in the adiabatic capture centrifugal sudden approximation for X + OH(X-2 Pi) -> OX + H(S-2) reactions where …

2012

International audience; New long-range multipolar coefficients for the X + OH(X-2 Pi) interactions, where X = O(P-3), S(P-3) and N(S-4), are given here. They have been evaluated on the basis or monomer properties of the atoms and OH such as the dipole and quadrupole moments, and the static and dynamic polarizabilities. Each matrix element of the 18 x 18 (8 x 8 for N + OH) quasi-degenerate asymptotic potentials has been built up by means of the perturbation theory up to second order including or not the fine-structure of O, S and OH. The adiabatic potentials, obtained after diagonalization of the full matrix, show many crossings and complex behaviors near the asymptotes. Using the entrance c…

Ab initio010402 general chemistryKinetic energy7. Clean energy01 natural sciencesBiochemistryDIPOLE POLARIZABILITIESATOMSAb initio quantum chemistry methodsLOW-TEMPERATUREOH RADICALS0103 physical sciencesCOUPLED-CLUSTER CALCULATIONSPhysical and Theoretical ChemistryPerturbation theoryAdiabatic processKINETICS010304 chemical physicsChemistryRANGECondensed Matter PhysicsPotential energy0104 chemical sciencesQUADRUPOLE-MOMENTSO-2[SDU]Sciences of the Universe [physics]QuadrupoleCLAtomic physicsGround state
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Highly stable defective TiO2-x with tuned exposed facets induced by fluorine: Impact of surface and bulk properties on selective UV/visible alcohol p…

2020

Abstract Titanium dioxide samples were prepared in the presence of different amounts of fluorine via hydrothermal method. It has been found that the presence of fluoride influenced the physico-chemical properties of TiO2 in various ways as polymorphic form stability, surface hydroxylation, generation of hydroxyl radicals under irradiation and formation of Ti3+ centers and oxygen vacancies. The generation rate of OH radicals was investigated by the photoluminescence technique in the presence of terephthalic acid. X-ray diffractometry indicated that fluorine stabilized the anatase TiO2. X-Ray photoelectron spectroscopy (XPS) revealed the presence of fluorine on the surface and the shift of th…

AnataseRadical2General Physics and Astronomychemistry.chemical_elementPhotochemistry)law.inventionchemistry.chemical_compoundX-ray photoelectron spectroscopylawTiOFluorine effectIrradiationElectron paramagnetic resonanceStructural and morphological TiOChemistrySurfaces and InterfacesGeneral ChemistryOH radicals generation rateTitanium dioxide (TiOCondensed Matter PhysicsSurfaces Coatings and Films2-Propanol and 4-Methoxybenzyl alcohol photo-oxidationTitanium dioxidefacetPhotocatalysisFluorinecontrol[rad]Applied Surface Science
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