41 results about "Halogen bond" patented technology

The invention discloses a synthesis method of a mono / dibromo pyridine derivative, which comprises the following steps: reacting a pyridine derivative with dimethyl butynedioate and methyl pyruvate at room temperature by using acetonitrile as a solvent to generate a dearomatized heteroaromatic compound; in an oxygen environment, copper bromide is used for brominating the dearomatized heteroaromatic compound to realize dibromination, and if potassium carbonate is additionally added in the reaction, monobromination is realized; and finally, respectively generating mono / dibromopyridine derivatives under hydrochloric acid hydrolysis. A carbon halogen bond of bromopyridine has very high activity, and various reactions such as Suzuki coupling, Sonogashira coupling, Heck reaction, amination reaction and the like can be carried out. On the basis, the polysubstituted bromopyridine can be subjected to selective reaction, and many new ideas can be provided for organic synthesis. The method disclosed by the invention is simple and safe to operate and environment-friendly, the cost is lower by using the copper bromide, and the required reaction conditions are simple.

Embodiments of the present application provide a silicon-based composite negative electrode material, a preparation method thereof, a negative electrode sheet and a secondary battery. The preparation method comprises: preparing a precursor fiber by electrospinning a precursor dispersion liquid containing a first silicon source, a second silicon source, a first carbon source and a second carbon source; and obtaining the silicon-based composite negative electrode material by heat treatment of the precursor fiber; the first silicon source is silicon particles; the second silicon source carries one or more of a silicon halogen bond, a silicon oxygen bond and a silicon hydrogen bond in a molecular structure; the first carbon source is a high molecular compound; and the second carbon source is an oxygen-containing small molecule organic compound. The present application adds two silicon sources and oxygen-containing group organic compounds to the spinning precursor dispersion liquid, so as to improve the structural stability and electrochemical performance of the silicon-based negative electrode material, thereby achieving the technical effects of inhibiting volume expansion while ensuring high capacity, significantly improving the cycle stability and safety, and simplifying the preparation process and reducing the cost.

The invention provides the photoinitiator based on the intramolecular halogen bond, and the photolysis can be delayed by adjusting the central skeleton of the photoinitiator based on the intramolecular halogen bond and the type of atoms or atomic groups forming the intramolecular halogen bond action. The invention further discloses an adhesive composition containing the photoinitiator based on the intramolecular halogen bonds and a preparation method of the adhesive composition. The adhesive composition prepared by adopting the photoinitiator based on the intramolecular halogen bonds has a window period for delaying curing, and can be used for bonding low-ultraviolet-light-transmission base materials.

This invention discloses a method for synthesizing a full-carbon quaternary carbocyclic ketone-spirocyclic pseudoindole derivative. This method uses a metal carbonyl compound as a safe carbonyl source and involves a catalytic cycle from zero-valent palladium to divalent palladium. Specifically, it involves the oxidative addition of palladium(O) via a carbon-halogen bond, the coordination and migration insertion of CO to form a carbonyl palladium species, followed by nucleophilic attack of the indole C3 ring to achieve dearomatization of the indole ring, and then reductive elimination to obtain the full-carbon quaternary carbocyclic ketone-spirocyclic pseudoindole derivative. Specifically, compound 1 and the metal carbonyl compound Co2(CO)8 are reacted under heating conditions with palladium as a catalyst, organophosphine as a ligand, and sodium salt as a base to obtain the full-carbon quaternary carbocyclic ketone-spirocyclic pseudoindole molecule. This method is a novel synthetic method for full-carbon quaternary carbocyclic ketone-spirocyclic pseudoindole derivatives, solving the problems of existing technologies such as the need for multiple reaction steps, harsh reaction conditions, narrow substrate range, and high toxicity of starting materials.

The present invention relates to a catalyst for propylene polymerization, a catalyst system for propylene polymerization and preparation and use thereof. The catalyst for propylene polymerization comprises: an activated magnesium halide, a titanium compound supported on the activated magnesium halide containing at least one Ti-halogen bond, and an internal electron donor compound selected from one or more of compounds having a structure of below Formula (1), wherein R1 and R6 are each independently selected from a C1-C12 straight or branched alkyl, a C3-C15 cycloalkyl or aryl, and R′ is H, a C1-C5 straight or branched alkyl, or phenyl; R2, R3, R4, and R5 are each independently selected from H, halogen, a C1-C12 straight or branched alkyl, a C3-C8 cycloalkyl, a C6-C15 aryl, or arylalkyl. The present invention can provide a catalyst showing high polymerization reaction activity and excellent stereospecificity, by applying a novel type of internal electron donor.

The application belongs to the technical field of wastewater treatment, and provides an electrochemical anode-cathode combined system, wherein a diaphragm divides an electrolytic cell into an anode chamber and a cathode chamber, the anode chamber is provided with a counter electrode and filled with activated carbon, the cathode chamber is provided with a working electrode and a reference electrode, the working electrode comprises a conductive base and a modified electroactive biofilm arranged on the surface of the conductive base, and the modified electroactive biofilm comprises an electroactive biofilm and palladium nanoparticles loaded on the electroactive biofilm.In the application, H* generated on the surface of the palladium nanoparticles on the electroactive biofilm can attack the carbon-halogen bond in PFASs, meanwhile, the electroactive biofilm can reduce nitrate by using electrode electrons, and then the activated carbon particles passing through the anode can be adsorbed and further purified and filtered, so that the electrochemical anode-cathode combined system provided by the application can effectively remove perfluoro / polyfluoroalkyl compounds and nitrate in wastewater at the same time.

The invention is applicable to the technical field of environmental pollutant detection, and provides a dioxin SERS (Surface Enhanced Raman Scattering) sensing analysis method and device based on fluorine-functionalized MOFs (Metal Organic Frames.The method comprises the following steps: synthesizing a zirconium-based-MOF or iron-based-MOF carrier through a solvothermal method, carrying out fluorine-containing functional modification, loading a noble metal nanostructure unit in situ, and preparing a fluorine-containing functionalized MOF composite material; after a to-be-detected sample is subjected to surfactant dispersion pretreatment, 2, 3, 7, 8-TCDD is captured through the synergistic effect of F-Cl halogen bonds and pi-pi accumulation of the composite material, and ultra-trace sensing analysis is achieved in combination with SERS. The invention solves the problems of low sensitivity, complex operation and insufficient stability in the prior art, and is suitable for ultra-trace sensing analysis of 2, 3, 7, 8-TCDD in sample matrixes such as food, water, soil and the like.

The invention relates to the technical field of computational chemistry and drug screening, and discloses a fluorinated derivative screening method based on computer-aided design, which comprises the following steps: acquiring an initial binding conformation of fluorine-containing molecules and a target system, and constructing a follow-up local orthogonal coordinate system by taking the axial direction of a fluorocarbon bond as a reference; projection coordinates of the environmental particles relative to the fluorocarbon bonds are calculated and mapped as a spherical coordinate index, a preset anisotropic potential energy surface grid is called, and a potential energy value is calculated through interpolation; the method comprises the following steps: generating an anisotropic correction term, monitoring the modulus length of the energy gradient in real time, and when the modulus length of the energy gradient exceeds a sensitive threshold value, adaptively and nonlinearly reducing a sampling step length and executing high-frequency local sampling in a sensitive area. The problem of false negative activity prediction caused by insufficient sampling when a traditional equal-step algorithm is used for processing anisotropic distribution of fluorine atom electron clouds is solved, and the recognition precision and screening efficiency for weak directional interaction such as halogen bonds are improved.

A solid catalyst component for the polymerization of olefins made from or containing a magnesium halide, a titanium compound having at least a Ti-halogen bond, and at least an electron donor compound selected from 1,3-diethers.

A catalyst component for the polymerization of olefins obtained by a process comprising: (a) reacting in an inert hydrocarbon suspension medium a Mg(OR1)(OR2) compound, in which R1 and R2 are identical or different and are each an alkyl radical having 1 to 10 carbon atoms, with a tetravalent transition metal compound having at least a Metal-halogen bond, used in amounts such that the molar ratio metal / Mg is from 0.05 to 5, thereby obtaining a solid reaction product dispersed in a hydrocarbon slurry and (b) contacting the product obtained in (a) with ethylaluminum dichloride.

This invention relates to a new stationary phase carrying functional groups comprising a halogen substituted aromatic ring. Target molecules can interact with this stationary phase by halogen bonding. The stationary phase is suitable for SPE or chromatographic separations.

Halogen bonding receptors are described, as well as their use in sensing dicarboxylates.

The invention discloses a simple and low-cost preparation method of a dark blue organic light emitting diode material benzo [k] fluoranthene. The method comprises the following steps: by taking aryl halide as an initial raw material, activating the aryl halide and inorganic alkali under heating under the action of a catalytic system, carrying out DA reaction under the light irradiation under the synergistic catalysis of polycyclic aromatic hydrocarbon and a metal catalyst, and oxidizing by an oxidant to obtain the benzo [k] fluoranthene. Wherein the polycyclic aromatic hydrocarbon has an autocatalytic effect under illumination, and cooperates with metal halide as a reaction catalyst to activate carbon halogen bonds on halogenated aromatic hydrocarbon, so that the halogenated aromatic hydrocarbon and the polycyclic aromatic hydrocarbon are subjected to cycloaddition Diels-Alder reaction, and then aromatization is performed to obtain the target product benzo [k] fluoranthene. All raw materials involved in the synthetic route are cheap and easy to obtain, and expensive and dangerous chemical raw materials are avoided. The reaction is carried out under illumination, the condition is mild, compared with a traditional high-temperature reaction condition, the condition is better, and the green chemistry and sustainable development concepts are met.

This invention relates to the field of alkali metal-based battery technology, and particularly to a fluorinated cyclic triphosphazene compound, a flame-retardant electrolyte, and an alkali metal-based battery. The fluorinated cyclic triphosphazene compound provided by this invention has the general structural formula shown in Formula I: Formula I; R1~R6 are each independently selected from -F or ; and one or two of R1~R6 are ; R7 is selected from substituted or unsubstituted alkylene groups, substituted or unsubstituted chain ether groups, substituted or unsubstituted cyclic ether groups; substitution means that at least one hydrogen in the group is independently replaced by a halogen, cyano, olefinic, or alkyne group. This invention applies a fluorinated cyclic triphosphazene compound containing a specific difluoromethyl terminal group to a flame-retardant electrolyte. Utilizing the unique hydrogen bonding and supramolecular halogen bonding interactions between the molecules of this compound, a stable phosphazene supramolecular network is formed inside the electrolyte, thus simultaneously ensuring battery safety, high-voltage stability, and high-temperature adaptability.

The present invention relates to a phthalate free propylene-ethylene copolymer having high ethylene content characterized by low hexane extractable and xylene soluble properties, while showing excellent mechanical properties. The preparation of the copolymer is carried out in the presence of a phthalate free catalyst system comprising (a) phthalate free catalyst component obtained by contacting a magnesium halide, a titanium compound having at least a Ti-halogen bond and one or more electron donor compounds comprising urea, a carbonate ether, and a 1,3-diether; (b) an alkyl aluminum compound; and (c) an external electron donor compound.

The application provides a drug composition based on a two-dimensional halogen bond organic framework XOF and application thereof in treating bacterial keratitis, the drug composition is formed by loading new indocyanine green to form a composite drug based on the two-dimensional halogen bond organic framework XOF, the composite drug has good bacteriostatic effect and can have good treatment effect on bacterial keratitis, and provides a new choice for the treatment of bacterial keratitis, can avoid drug resistance caused by long-term use of fixed drugs such as antibiotics, and has a significant application prospect.

A solid catalyst component for olefin polymerization comprises magnesium halide, a titanium compound having at least a Ti-halogen bond, and at least two electron donor compounds, one of which is selected from a specific class of 1,3-diethers, and the other of which is selected from diether organic compounds. The solid catalyst component exhibits high polymerization activity and stereospecificity even in the absence of an external donor.

The present invention pertains to a composite semipermeable membrane comprising: a porous support layer; and a separation function layer provided on the porous support layer. The separation function layer contains a polyamide including a halogen. The ratio of the number of carbon atoms to which a halogen is bonded with respect to the number of all carbon atoms on the surface of the separation function layer is 0.002-0.016. The composite semipermeable membrane exhibits a boron removal rate of at least 90% when an aqueous solution at 25°C having a pH of 6.5 and a sodium chloride concentration of 32000 mg / L and a boron concentration of 5 mg / L is caused to pass through the composite semipermeable membrane with an operation pressure of 5.5 MPa.

Ge-centered octahedral perovskites have heretofore not been achievable due to collapse of the perovskite structure into non-octahedral units due to a lack of B site support from the small-radius Ge atom, which breaks Goldschmidt's rules for constructing octahedral perovskites. To overcome this shortcoming, a strategy was developed to form a strong cage with the A sites in which the octahedron is forced to remain intact. Strong intermolecular interaction between the organic A site cations were used to stabilize the symmetric Ge octahedral perovskite beyond the Goldschmidt's rules. The molecules used based on Y-PMA (Y: F, Cl, Br, I) that facilitated strong halogen bonding to form the cage around the octahedral. Octahedral Ge perovskites exhibit a direct bandgap in contrast to the indirect bandgap of non-octahedral Ge perovskites are demonstrated. In addition, the octahedral Ge perovskite exhibited a dramatic increase in the carrier mobility. A photodetector made with the stabilized octahedral perovskite material exhibited a vastly better responsivity than non-octahedral Ge perovskites.

A solid catalyst component for the polymerization of olefins, which comprises a magnesium halide, a titanium compound having at least Ti-halogen bonds and at least two electron donor compounds, one electron donor compound being selected from a specific class of 1,3-diethers and the other electron donor compound being selected from diether organic compounds, the solid catalyst component having high polymerization activity and stereospecificity even in the absence of an external donor.

The invention belongs to the technical field of solar cells, and particularly discloses a passivation contact structure, a preparation method of the passivation contact structure, a solar cell and a photovoltaic module. The doped polycrystalline silicon layer, the doped polycrystalline silicon layer and the dielectric layer are arranged in a laminated manner, the thickness of the doped polycrystalline silicon layer is 20-45nm, the doped polycrystalline silicon layer contains X atoms and H atoms, the X atoms are F atoms or Cl atoms, the X atoms are combined with Si atoms in the doped polycrystalline silicon layer through silicon halogen bonds, and the X atoms are combined with H atoms in the doped polycrystalline silicon layer through silicon hydrogen bonds. According to the invention, the diffusion of H atoms can be effectively inhibited, the contact performance of adjacent interfaces can be obviously enhanced, and the stability of the doped polycrystalline silicon layer can be obviously improved.

The invention provides a trihydrogermane, a dihydrogermane, a monohydrogermane, and a method for preparing the trihydrogermane, the dihydrogermane and the monohydrogermane. Germanium dichloride is used as an initial raw material, and is subjected to an insertion reaction with a carbon halogen bond of halogenated hydrocarbon, and then reduction treatment is performed, so that the trihydro germane compound is efficiently constructed. Further, coupling of an olefin precursor and a germanium source is realized based on a metal-free condition or a zirconium-catalyzed olefin hydrogen germanization reaction, so that dihydrogermane and monohydrogen germane compounds are synthesized. The germane compound obtained by the invention can be separated and purified by conventional means such as extraction, column chromatography and the like, is stable to air and humidity, and shows a good industrial application prospect.

The application belongs to the technical field of color-changing materials, and particularly relates to a MOF-based photo-thermal dual-response material and a preparation method and application thereof, which has a chemical formula of 3-BP@Cd-MOF and comprises guest 3-bromopropynyl and host Cd-MOF material; the Cd-MOF material is a three-dimensional porous structure; the 3-bromopropynyl is fixed in a one-dimensional pore of the Cd-MOF material through C≡C-H...O hydrogen bond interaction; and adjacent 3-bromopropynyl molecules are connected into a guest molecular chain through C-Br...pi halogen bond interaction. The system has thermal discoloration and photo-fading dual discoloration performance, and has potential application values in super-temperature indication, information encryption, anti-counterfeiting technology and intelligent temperature control materials.

The invention provides an NLG919 and sulconazole carrier-free self-assembled nano particle as well as a preparation method and application thereof. According to the invention, carrier-free self-assembly is realized through intermolecular interaction of NLG919 and sulconazole, and the prepared nanoparticles are used for improving the drug utilization rate and the tumor inhibition effect. The two compounds both contain polycyclic aromatic structures and aza-aromatic rings and can generate pi-pi stacking and hydrophobic association; nitrogen-containing and oxygen-containing functional groups can be used as hydrogen bond acceptors / donors to form a multipoint hydrogen bond network; the halogenated aromatic ring of the thioconazole can also provide halogen bond / pi-halogen interaction. Under the condition that metal ions are not added, the system is mainly driven by hydrophobic-pi stacking-hydrogen bond synergistically to form a nano aggregate; when divalent metal ions (such as Cu < 2 + >) are optionally added, weak coordination crosslinking can further occur, and the stability of the nanoparticles is improved.

The application is suitable for the technical field of environmental pollutant detection, and provides a dioxin SERS sensing analysis method and device based on fluorine functionalized MOF.The method synthesizes a zirconium-based-MOF or iron-based-MOF carrier through a solvothermal method, loads a noble metal nano structure unit in situ after fluorine functionalization modification, and prepares a fluorine functionalized MOF composite material;after surfactant dispersion pretreatment of a to-be-detected sample, 2,3,7,8-TCDD is captured through the synergistic effect of the 'F to Cl halogen bond + pi-pi stacking' of the composite material, and SERS is combined to realize ultratrace sensing analysis.The application solves the problems of low sensitivity, complex operation and insufficient stability in the prior art, and is suitable for ultratrace sensing analysis of 2,3,7,8-TCDD in food, water, soil and other sample matrices.

This invention provides a method for constructing ordered porous organic crystalline materials based on templates. This method utilizes supramolecular interactions such as hydrogen bonding, halogen bonding, and π-π interactions to successfully construct ordered porous structures, particularly ordered macroporous structures. This method innovatively solves the problem of achieving large-sized (diameter greater than or equal to 50 nanometers) ordered permanent pores in traditional (hydrogen-bonded) organic crystalline materials, while ensuring the material's excellent stability and ordered macroporous properties. The ordered porous (especially ordered macroporous) (hydrogen-bonded) organic crystalline materials constructed by this invention, due to their unique structure and properties, are expected to show broad application prospects in catalysis, biomedicine, and other fields.

The invention discloses a polycrystalline organic eutectic material as well as a preparation method and application thereof, and belongs to the technical field of organic luminescent materials. According to the invention, a polycrystalline organic eutectic crystal 1-BrTC composed of an electron acceptor TCNB and an electron donor 1-BrDBT is synthesized. And carrying out self-assembly in different crystallization environments to obtain two polycrystalline crystals with obviously different emission colors, which are respectively named as g-eutectic and y-eutectic. Experimental results show that spin-orbit coupling is enhanced through multiple halogen bond effects in the g-eutectic, intersystem crossing and anti-intersystem crossing processes are remarkably accelerated, and thermal activation delayed fluorescence emission is enhanced. Besides thermally activated delayed fluorescence, singlet radiation attenuation and triplet non-radiative transition are inhibited by stronger hydrogen-bond interaction in the y eutectic, and room-temperature phosphorescence emission is realized. A new thought is provided for effective utilization of triplet excitons in the polycrystalline organic eutectic, and reasonable design of a novel luminescent material is facilitated.

A class of metal halide-based metal-organic frameworks (MOFs) materials with multicolor tunable long-lasting emission and white light properties were synthesized by self-assembly of 15-crown ether-5 (CE) ligands and metal halide salts (CdX2), resulting in three complexes (15-5-CdCl2, 15-5-CdBr2, and 15-5-CdI2). In the solid state, the complexes (15-5-CdCl2, 15-5-CdBr2, and 15-5-CdI2) all exhibited near-standard white light emission under 340 nm ultraviolet radiation at room temperature, with CIE coordinates of (0.28, 0.32), (0.31, 0.39), and (0.30, 0.34), respectively. Simultaneously, they exhibit excitation-dependent room-temperature phosphorescence (RTP) ranging from blue / cyan to green / yellow, with 15-5-CdCl2 and 15-5-CdBr2 exhibiting multicolor tunable and visible light luminescence (LPL) with time-resolved luminescence lifetimes as high as 1-2 seconds. Single-crystal X-ray diffraction analysis and theoretical calculations indicate that the bright LPL of 15-5-CdCl2 and 15-5-CdBr2 originates from the aggregation state induced by the 15-crown ether-5 ligand and halogen bonds. The LPL obtained in this way can be widely used in lighting and display devices, optical recording devices, biological imaging, security systems, and other fields.

Compared with the prior art, the long-life OLED display device and the preparation method and application thereof have the advantages that the nitrogen-containing heterocyclic compound DT is used and can be bonded with free halogen to form a complex, so that the free halogen is stabilized, a complex molecular group is formed, the degree of freedom of molecules is reduced, and the service life of the OLED display device is prolonged. And free halogen in the chamber is reduced. DT is evaporated into a device, due to the fact that the Lewis base and halogen atoms in the compound have strong halogen bonds, a large amount of halogen is limited outside a light-emitting layer under the electromigration effect due to the complexing effect, the probability of re-dissociation is greatly reduced due to the existence of a complex, and the situation that the halogen enters the light-emitting layer to directly damage the service life is prevented.

The application discloses a method for analyzing multiple halogenated phenols based on hydrogen bond enhanced halogen bond recognition, which mainly comprises the following steps: constructing a selective recognition surface enhanced Raman substrate, selectively capturing target molecules, collecting signals and extracting chemical characteristics, embedding physical / chemical prior knowledge into machine learning multi-component decoupling, and the like. The application overcomes the interference of complex matrix in water, realizes selective capture, breaks through the black box limitation of traditional pure data driven model, constructs a physical information guided machine learning model, and realizes the detection of multiple halogenated phenols. The application can be used for selectively capturing halogenated phenol persistent organic pollutants (such as trichlorophenol, tribromophenol, tetrabromobisphenol A and the like) in a water phase environment containing background inorganic salt or non-halogenated aromatic organic matter interference, and realizes the qualitative screening of target pollutants in combination with a surface enhanced Raman spectroscopy technology.