Mechanism of thioether oxidation over di- and tetrameric ti centres: kinetic and DFT studies based on model Ti-containing polyoxometalates

scientific article published on 13 August 2015

Mechanism of thioether oxidation over di- and tetrameric ti centres: kinetic and DFT studies based on model Ti-containing polyoxometalates is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1002/CHEM.201501157
P698PubMed publication ID26384744

P50authorJorge J. CarbóQ51053995
Josep Maria PobletQ42660935
P2093author name stringOxana A Kholdeeva
Igor Y Skobelev
Olga V Zalomaeva
P2860cites workA quantum chemical study of comparison of various propylene epoxidation mechanisms using H2O2 and TS-1 Catalyst.Q51155594
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elementsQ51158562
Polyoxometalate Chemistry: An Old Field with New Dimensions in Several DisciplinesQ55878699
A Simplex Method for Function MinimizationQ55954356
Green Chemistry and CatalysisQ56445558
Heterogeneous catalysts obtained by grafting metallocene complexes onto mesoporous silicaQ56567343
Titanium(IV)−(R,R,R)-Tris(2-phenylethoxy)amine− Alkylperoxo Complex Mediated Oxidations: The Biphilic Nature of the Oxygen Transfer to Organic Sulfur CompoundsQ56979917
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityQ21708802
Density-functional thermochemistry. III. The role of exact exchangeQ25938987
An Algorithm for Least-Squares Estimation of Nonlinear ParametersQ26778383
Controlled oxidation of organic sulfides to sulfoxides under ambient conditions by a series of titanium isopropoxide complexes using environmentally benign H2O2 as an oxidantQ33445206
Structure, properties and reactivity of polyoxometalates: a theoretical perspectiveQ38033992
A combined theoretical and experimental investigation on the enantioselective oxidation of aryl benzyl sulfides in the presence of a chiral titanium catalystQ43243784
Evidence of defect-promoted reactivity for epoxidation of propylene in titanosilicate (TS-1) catalysts: a DFT studyQ44783227
First isolated active titanium peroxo complex: characterization and theoretical studyQ44815812
A mononuclear non-heme high-spin iron(III)-hydroperoxo complex as an active oxidant in sulfoxidation reactions.Q44900214
Nature of Zr-monosubstituted monomeric and dimeric polyoxometalates in water solution at different pH conditions: static density functional theory calculations and dynamic simulationsQ45234500
Synthesis, characterization, and reactivity of Ti(IV)-monosubstituted Keggin polyoxometalatesQ45283767
Construction of titanasiloxanes by incorporation of silanols to the metal oxide model [(Ti(eta 5-C5Me5)(mu-O))3(mu3-CR)]: DFT elucidation of the reaction mechanismQ46493931
Quantum chemical modelling of ethene epoxidation with hydrogen peroxide: role of catalytic sitesQ46899435
Synthesis, structural characterization, and catalytic performance of dititanium-substituted gamma-Keggin silicotungstateQ46961700
P433issue41
P407language of work or nameEnglishQ1860
P304page(s)14496-14506
P577publication date2015-08-13
P1433published inChemistry—A European JournalQ898737
P1476titleMechanism of thioether oxidation over di- and tetrameric ti centres: kinetic and DFT studies based on model Ti-containing polyoxometalates
P478volume21

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cites work (P2860)
Q41446289Mechanistic Investigation into Olefin Epoxidation with H2O2 Catalyzed by Aqua-Coordinated Sandwich-Type Polyoxometalates: Role of the Noble Metal and Active Oxygen Position
Q51567419Probing Polyoxometalate-Protein Interactions Using Molecular Dynamics Simulations.

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