Alexey V. Ignatchenko
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View article: Kinetics of Carboxylic Acid Enolization on Metal Oxides in Vapor Phase
Kinetics of Carboxylic Acid Enolization on Metal Oxides in Vapor Phase Open
An invisible, reversible, previously overlooked catalytic reaction — enolization — occurs consistently when carboxylic acid vapors contact metal oxide surfaces. A relatively strong acidity of the CO2H group in carboxylic acids is responsib…
View article: Mapping Acid–Base Sites on Anatase Titania (100) and (101) Surfaces by Density Functional Theory: The Link Between Lewis Acidity and the Surface Ability to Flex
Mapping Acid–Base Sites on Anatase Titania (100) and (101) Surfaces by Density Functional Theory: The Link Between Lewis Acidity and the Surface Ability to Flex Open
The acidity of anatase titania before and after KOH doping was probed by pyridine adsorption in a pulse microreactor and modeled by DFT optimization of the geometry of CO and pyridine adsorption on a periodic slab of (101) and (100) surfac…
View article: Launching Graphene into 3D-Space: Symmetry, Topology, and Strategies for Bottom-Up Synthesis of Schwarzites
Launching Graphene into 3D-Space: Symmetry, Topology, and Strategies for Bottom-Up Synthesis of Schwarzites Open
Schwarzites are hypothetical carbon allotropes in the form of a continuous negatively curved surface with a three-dimensional periodicity. These materials of the future attract interest because of the expectation for their large surface ar…
View article: CCDC 1978138: Experimental Crystal Structure Determination
CCDC 1978138: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1978139: Experimental Crystal Structure Determination
CCDC 1978139: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1978136: Experimental Crystal Structure Determination
CCDC 1978136: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1978137: Experimental Crystal Structure Determination
CCDC 1978137: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Methyl ketones from carboxylic acids as valuable target molecules in the biorefinery
Methyl ketones from carboxylic acids as valuable target molecules in the biorefinery Open
View article: Multiscale approach for the optimization of ketones production from carboxylic acids by the decarboxylative ketonization reaction
Multiscale approach for the optimization of ketones production from carboxylic acids by the decarboxylative ketonization reaction Open
View article: Equilibrium in the Catalytic Condensation of Carboxylic Acids with Methyl Ketones to 1,3-Diketones and the Origin of the Reketonization Effect
Equilibrium in the Catalytic Condensation of Carboxylic Acids with Methyl Ketones to 1,3-Diketones and the Origin of the Reketonization Effect Open
Acetone is the expected ketone product of an acetic acid decarboxylative ketonization reaction with metal oxide catalysts used in the industrial production of ketones and for biofuel upgrade. Decarboxylative cross-ketonization of a mixture…
View article: Reversibility of the catalytic ketonization of carboxylic acids and of beta-keto acids decarboxylation
Reversibility of the catalytic ketonization of carboxylic acids and of beta-keto acids decarboxylation Open
View article: Ab initio study of the mechanism of carboxylic acids cross-ketonization on monoclinic zirconia via condensation to beta-keto acids followed by decarboxylation
Ab initio study of the mechanism of carboxylic acids cross-ketonization on monoclinic zirconia via condensation to beta-keto acids followed by decarboxylation Open
View article: Catalytic Condensation of Ketones with Carboxylic Acids
Catalytic Condensation of Ketones with Carboxylic Acids Open
It is found that use of acetone in place of acetic acid in the reaction with isobutyric acid is effective for the synthesis of the cross-ketonization product, methyl isopropyl ketone (MIPK). Rate of MIPK formation is of the same order of m…