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176 results about "Electronic effect" patented technology

An electronic effect influences the structure, reactivity, or properties of molecule but is neither a traditional bond nor a steric effect. In organic chemistry, the term stereoelectronic effect is also used to emphasize the relation between the electronic structure and the geometry (stereochemistry) of a molecule.

Fluorine-containing titanium-silicon molecular sieve with MWW (Manual Wire Wrap) structure and preparation method and application thereof

The invention discloses a fluorine-containing titanium-silicon molecular sieve with a MWW (Manual Wire Wrap) structure and a preparation method and an application thereof. In the molecular sieve, a fluorine atom is connected with a framework silicon atom in the form of a chemical bond, an XRD (X-Ray Diffraction) spectrogram contains a characteristic spectral line of the molecular sieve with the MWW structure, and characteristic peaks of -150+ / -5ppm and -143+ / -5ppm appear in a 19FMAS-NMR (19 File Management Assistant For Server-Nuclear Magnetic Resonance) spectrogram; the preparation method comprises the following steps of: synthesizing a boron-containing parent body, post-treating, baking and the like; and the molecular sieve serving as a catalyst is applied to catalytic oxidation reactions of compounds containing carbon-carbon double bonds and at least one other functional group as well as reactions for catalytically synthesizing oxime. The molecular sieve has a complete crystalline state structure; according to the electronic effect of framework fluorine, the molecular sieve and higher catalytic oxidation capability; a preparation process is simple, and is easy for industrial production; synthesis of corresponding epoxides or catalytic synthesis of oxime from compounds containing carbon-carbon double bonds and at least one other functional group can be catalyzed at higher activity and high selectivity; and a reaction process is environmentally-friendly.
Owner:EAST CHINA NORMAL UNIV

Aza cyclic carbine rear earth catalyst for crystallinity 3,4-polyisoprene

The present invention relates to a nitrogen heterocyclic carbene rare earth complex, a catalyst system which consists of the present invention, aluminum alkyl and an organoboron salt can catalyse the isoprene to carry out the solution polymerization, so as to prepare the polyisoprene with the crystallization property, high 3, 4-structure and high glass transition temperature (Tg). The molar ratio of aluminum alkyl and the rare earth complex is within the scope of 1 to 100, the molar ratio of the organoboron salt and the rare earth complex is within the scope of 0.5 to 2.0; the solvent which is used for polymerization can be toluene, bromobenzene, n-hexane, dichloromethane or chlorobenzene; the polymerization temperature range is -20 DEG C to 80 DEG C, the reaction time of polymerization at minus 20 DEG C is 36 hours, the reaction time of polymerization at 80 DEG C is 1 hour, and the monomer conversion rate can be up to 100 percent. The reaction is characterized by active polymerization, the molecular weight of the product can be controlled by the molar ratio of the monomer and the catalyst, the molecular weight of the polyisoprene can achieve 360,000 at most, and the glass transition temperature Tg is equal to 5 DEG C to 50 DEG C. The content of the 3, 4 structure of the polyisoprene is affected by the spatial effect and the electronic effect of the rare earth complex, the solvent type for polymerization reaction and the polymerization reaction temperature and so on, which is changed between 76 percent and 99 percent.
Owner:CHANGCHUN INST OF APPLIED CHEMISTRY - CHINESE ACAD OF SCI

Post-processing method for carbon-supported Pt-Fe catalyst

The invention provides a post-processing method for carbon-supported Pt-Fe catalyst, belongs to the field of catalyst post-processing methods, and overcomes the defects that the conventional post-processing method for the carbon-supported Pt-Fe catalyst is harsh in conditions and complex. The method comprises the following steps: immersing the carbon-supported Pt-Fe catalyst into sulfuric acid solution, and stirring at 70 to 90 DEG C to obtain suspension liquid; cooling, washing and drying the suspension liquid to obtain chemically de-alloyed carbon-supported Pt-Fe catalyst. According to the method, Fe on the surfaces of carbon-supported Pt-Fe nano-particles is removed in the sulfuric acid solution by controlling reaction conditions, the catalytic oxidation effect of Pt on methanol is improved by utilizing the strong electronic effect of the Fe in the carbon-supported Pt-Fe catalyst on the Pt, and meanwhile, the problem that the stability of the Pt-Fe catalyst is low is solved. The quality specific activity of the chemically de-alloyed carbon-supported Pt-Fe catalyst prepared by the invention can reach 514 mA/mg<2>; through four-hour timing current test, 45.4 percent of catalytic performance can be remained.
Owner:CHANGCHUN INST OF APPLIED CHEMISTRY - CHINESE ACAD OF SCI

Novel oxygen evolution electrocatalyst as well as preparation method and application thereof

ActiveCN111167480AImproving the performance of electrocatalytic oxygen evolutionPhysical/chemical process catalystsElectrodesPtru catalystThiourea
The invention discloses a novel oxygen evolution electrocatalyst as well as a preparation method and application thereof, which comprises the following steps: (1) dissolving nitrate of metal elementsin a P region into a solvent to obtain a solution A, dissolving thiourea in a solvent to obtain a solution B, dropwise adding the solution B into the solution A, fully stirring and uniformly mixing the mixture, and transferring the mixture into a reaction kettle; and (2) vertically putting the cleaned and dried metal Ni foam into a reaction kettle, carrying out solvothermal reaction to obtain a heterojunction, repeatedly washing the heterojunction with deionized water and ethanol for several times, and drying the product in a vacuum box to obtain the novel oxygen evolution electrocatalyst. According to the preparation method, the electro-catalytic performance is remarkably improved by a P-region element asymmetric SP3 hybridization induced electron effect; by means of a simple, convenientand mild solvothermal method, a Ni foam net is used as a substrate and a Ni source, and a P-region element Bi or Sb induces to prepare a flexible self-assembled succulent Bi2S3/Ni3S2/NF or Sb2S3/Ni3S2/NF heterojunction working electrode for electrocatalytic oxygen evolution reaction. The Bi2S3 or Sb2S3 has a unique asymmetric SP3 hybrid modulation heterojunction electronic structure, so that the electro-catalytic performance is improved.
Owner:UNIV OF ELECTRONICS SCI & TECH OF CHINA

Supported alloy catalyst as well as preparation method and application thereof

ActiveCN111841531AGood ammonia decomposition performanceImprove low-temperature ammonia decomposition performanceCatalyst activation/preparationHydrogen productionBoridePtru catalyst
The invention belongs to the technical field of catalytic materials, and particularly relates to a supported alloy catalyst and a preparation method and application thereof. The method comprises the following steps of: mixing a mixed solution of an active metal salt and a carrier metal salt with an alkaline solution, carrying out a first reaction, and controlling the pH value of the system to 9.0-11.0 to obtain a turbid liquid; adding a phosphorus source or a boron source into the turbid liquid, carrying out a second reaction, and carrying out separation and vacuum drying on a reaction productto obtain an amorphous catalyst precursor; and roasting the obtained amorphous catalyst precursor in an inert atmosphere to obtain the supported alloy catalyst. According to the method, the supportedalloy catalyst having a specific structure and taking metal phosphide or boride as an active component is prepared by using an amorphous alloy material as a precursor, and due to the fact that nonmetal boron or phosphorus generates an electronic effect on metal, the electronic characteristic and the surface property of the supported alloy catalyst are changed, and then the ammonia decomposition performance of the catalyst is improved.
Owner:福大紫金氢能科技股份有限公司

Molecule acid and alkaline dissociation constant prediction method based on layered atomic addition model

The invention relates to a brand new method for predicting the acid-base dissociation constant (pKa) of organic small molecules based on a hierarchical atom additive model. Based on the linear relationship rule of free energy changes of acid-base dissociation balance at a given temperature, the method firstly establishes the hierarchical atom additive model based on a Hammett-Taft equation and a processed substituent effect of 'dissociation center-rest part' brought forward by Cherkasov and the like, and then calculates the acid-base dissociation constant (pKa) value of a corresponding compound according to the concrete structure of the compound through the model. The method does not have the difficulties of large number of substituent electronic effect constants and correction factors relating existing in the prior method, ensures the speediness and accuracy of the prediction, shows good data fitting and predictive ability on a plurality of sample sets, breaks through the prior method which studies the drug pKa at an early research and development stage of a new drug, reduces the drug research and development cost on a large scale, and improves the discovery efficiency of the new drug.
Owner:SHANGHAI INST OF MATERIA MEDICA CHINESE ACAD OF SCI
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