30 results about "Molecular vibration" patented technology

The invention belongs to the technical field of organic photoelectric materials, and particularly relates to a boron-nitrogen heterocyclic compound and an organic electroluminescent device thereof. The boron-nitrogen heterocyclic compound provided by the invention has relatively large steric hindrance, on one hand, molecular vibration is reduced, and the boron-nitrogen heterocyclic compound has relatively narrow half-peak width and can effectively improve the color purity of light emitted by a device; on the other hand, the distance between molecules is increased, the acting force between the molecules is weakened, quenching caused by aggregation is overcome, the luminous efficiency of the device can be improved, and the service life of the device can be prolonged.

The invention relates to the technical field of pharmaceutical analysis, and discloses a method for monitoring a baicalein-betaine eutectic process based on terahertz spectroscopy, and the method comprises the following steps: mixing and ball-milling baicalein and betaine to obtain powder samples, collecting the powder samples with different ball-milling times, drying, mixing with a dispersing agent, tabletting, and drying to obtain the baicalein-betaine eutectic crystal. The method comprises the following steps: measuring spectral data by using terahertz time-domain spectroscopy equipment, selecting a characteristic peak and tracking intensity change to obtain a curve, carrying out nonlinear fitting on the curve, obtaining a molecular vibration mode through a density functional theory, and analyzing the eutectic process by combining the two modes. The terahertz spectrum technology is combined with theoretical calculation, complete analysis of the baicalein-betaine eutectic process from macrodynamics monitoring to microcosmic molecular action mechanism analysis is achieved, and an effective means is provided for eutectic formation research and process optimization.

To provide an analysis apparatus an analysis method, and an analysis program each adapted to extract information about the molecular structures from the molecular vibration spectra. An analysis device includes an acquisition unit configured to analyze, by applying a combinatorial optimization technique using the Ising model, a molecular vibration spectrum of each of a plurality of organic molecules including a plurality of first organic molecules and second organic molecule serving as a reference for analyzing a molecule structure of each of the plurality of the first organic molecules, and to acquire information about a molecular structure of each of the plurality of the first organic molecules.

The invention provides an organic iridium complex and application thereof, the chemical formula of the organic iridium complex is Ir (LA) 2 (LB) 1, the ligand LA has a structure as shown in a formula 1, and the ligand LB has a structure as shown in a formula 2. A steric hindrance group is introduced to the sixth site of naphthalene or isoquinoline in the first ligand of a phosphorescent doped material to increase the aspect ratio of molecules, and the high-efficiency luminescence property is favorably realized. Meanwhile, introduced steric hindrance groups can inhibit molecular vibration and reduce the half-peak width, and the groups are low in vibration, so that unnecessary energy loss can be reduced.

The invention discloses a diacetylene topological chemical reaction method which comprises the following steps: spin-coating a diacetylene solution on a substrate to form a coating film; and irradiating the coating film by adopting an infrared light source, and reacting to generate polydiacetylene. Compared with side reaction and degradation caused by the fact that high-energy rays enable the material to enter an electron excitation state and material fragmentation caused by severe spatial change of molecules under high polymerization, mid-infrared light vibration excitation in the method serves as a means capable of triggering molecular vibration under an electron ground state, and under the mild condition, the mid-infrared light can be used as a means capable of triggering molecular vibration under the electron ground state. Therefore, various bad effects generated in the electron excitation state can be avoided.

The application discloses a kind of probe-Raman-optical integrated test system and its use method under inert atmosphere, probe-Raman-optical integrated test system includes: XYZ displacement platform, electrochemical workstation and micro area Raman spectrometer, XYZ displacement platform can be detachably installed one in-situ TEM sample rod, and sample cell for installing micro-nano battery chip is arranged in the sample rod head of in-situ TEM sample rod;In-situ TEM sample rod moves through XYZ displacement platform and the auxiliary of optical microscope, so that the position of micro-nano battery chip corresponding observation window in sample cell is located below the objective lens exit pupil of optical microscope;Electrochemical workstation is electrically connected with in-situ TEM sample rod.The application constructs the comprehensive research system capable of carrying out in-situ multimodal test in the same micro area simultaneously, realizes the synchronous acquisition of structure, electrical response and molecular vibration information under the scale of nanometer to micron to material in the same micro area.

The invention provides an analytical method suitable for a mechanism of generating free radicals through oxidation reduction and initiated polymerization thereof, in-situ attenuated total reflection infrared spectrum equipment is adopted in a linkage manner, and is used for tracking molecular vibration characteristic peak dynamic changes of reactants, intermediates and products in the reaction process and optimizing an in-situ electron paramagnetic resonance spectrum monitoring system, so that the system can be used for analyzing the free radicals in the reaction process. The method is used for identifying the variety of free radicals generated in the reaction process and the change rule of the strength of the free radicals along with time in real time, analyzing the redox reaction path based on infrared spectrum data and free radical data, and is particularly suitable for dynamically monitoring and analyzing the free radicals generated by redox so as to analyze the mechanism of generating the free radicals by redox.

A photonic hydrogel film (300) includes a substrate (602) and a hybrid cooling layer (304) attached to the substrate (602) and including a sodium polyacrylate (PAAS) material (308) forming a continuous film structure. The PAAS material (308) is hydrated by atmospheric water molecules such that the chains of the PAAS material (308) are unfastened to maintain the continuous membrane structure. The PAAS material reflects sunlight due to the porous structure and simultaneously emits infrared radiation due to molecular vibrations of the chains of the PAAS material.

The application discloses a polycyclic compound and an organic electroluminescent device containing the same. The compound structure is shown as formula I, which is a boron-nitrogen material with a planar structure. By introducing a bridged cycloalkyl group, the rigidity of the polycyclic compound is increased, and the introduction of a π electron-containing structure is reduced, so that the π-π mutual attraction in the molecule is minimized. The compound has similar molecular vibration modes and energy levels as existing boron-nitrogen materials, avoids the occurrence of red shift of the emission wavelength, and has a narrow emission spectrum and a half peak width. The compound is suitable for a blue host / dopant system in a blue series of AM-OLED and an organic electroluminescent device. The organic electroluminescent device containing the compound has a high external quantum efficiency, and the lifetime performance is particularly excellent.

The application provides a method for analyzing a redox-generated free radical mechanism and initiation polymerization, which is suitable for tracking dynamic changes of molecular vibration characteristic peaks of reactants, intermediates and products in a reaction process by using an in-situ attenuated total reflection infrared spectrum device, and optimizing an in-situ electron paramagnetic resonance spectrum monitoring system for identifying types of free radicals generated in the reaction process and variation rules of intensities of the free radicals with time in real time, and analyzing a redox reaction path based on infrared spectrum data and free radical data, and is especially suitable for dynamically monitoring and analyzing the redox-generated free radicals to analyze the redox-generated free radical mechanism.

The invention relates to the technical field of hazardous waste treatment, and discloses a hazardous waste intelligent classification treatment method based on multi-parameter fusion, comprising the following steps: collecting current multi-modal data of hazardous waste, and loading historical multi-modal data; the multi-modal data comprises chemical component data, 400-2500nm wave band images, a molecular vibration spectrum and a combustion heat value; in combination with the current multi-modal data and the historical multi-modal data, calling the classification model to carry out cross-modal feature fusion, and extracting a maximum correlation coefficient feature pair; establishing a linear programming model based on the maximum correlation coefficient feature pair, wherein the linear programming model is used for calculating the predicted emission amount of dioxin and optimizing the recovery rate of valuable metal; the actual emission amount of dioxin is monitored in real time, and if the deviation between the actual emission amount of dioxin and the predicted emission amount of dioxin is larger than a specified threshold value, classification calibration is triggered. According to the technical scheme, misjudgment caused by single information in a traditional method can be effectively avoided, and the recognition accuracy is improved.

The application discloses a high-temperature non-equilibrium model three-atom gas thermal property calculation method and a database generation method, and first, according to the fact that the energy level distribution probability on the electronic, vibration and rotation modes respectively meets the Boltzmann distribution hypothesis, a high-temperature non-equilibrium gas model is established; then, according to the rule that the vibration and rotation energy is less than the minimum dissociation energy of a molecule, the vibration and rotation energy level range of the molecule is determined; finally, according to the high-temperature non-equilibrium gas model and the vibration energy level and rotation energy level range of the molecule, a non-equilibrium three-atom gas specific heat calculation formula containing a single temperature variable is derived. Based on the non-equilibrium three-atom gas specific heat calculation formula, combined with the piecewise linear interpolation and piecewise quadratic interpolation method, a high-temperature non-equilibrium three-atom gas thermal property database is constructed. The application can support the engineering application of three and four temperature models, and has important significance for the scientific research and engineering application in the field of high-temperature non-equilibrium calculation aerodynamics.

The invention relates to the technical field of organic electroluminescent materials, in particular to a boron-containing multiple resonance type thermal activation delayed fluorescence material and an organic electroluminescent device thereof. The boron-containing multi-resonance type thermal activation delayed fluorescence material provided by the invention has the core of a spirofluorene locking strategy, and compared with the prior art, the boron-containing multi-resonance type thermal activation delayed fluorescence material has the advantages that firstly, a spirofluorene unit is covalently connected with a B / N doped multi-resonance core through a rigid spirofluorene bridge, and a pi conjugated system is expanded on the premise of not damaging an MR resonance structure, so that red shift of emission is realized; secondly, due to the three-dimensional space steric effect of the spiro-carbon unit, on one hand, molecular vibration and conformational change are limited, relaxation of an excited state structure is inhibited, and a narrow spectrum is maintained; on the other hand, pi-pi accumulation among molecules is hindered, aggregation-induced quenching is effectively inhibited, and wide doping concentration stability is achieved; and the spiro carbon bridge enhances the molecular planarity and rigidity, improves the thermal stability of the material, and improves the stability of the device.

The application discloses a method, device, equipment, medium and product for confirming molecular vibration activation energy, and relates to the technical field of thermal vibration activation. In the application, a method for confirming molecular vibration activation energy is provided. The energy distribution, frequency and number of each vibration energy level under each vibration mode of molecular vibration are obtained, the vibration activation intensity of each vibration energy level under each vibration mode is determined according to the energy distribution and the number of each vibration energy level, and finally the vibration activation energy of the whole molecule is determined based on the vibration activation intensity and the frequency. Thus, the vibration activation intensity positively correlated with the ability of vibration activation (transition of the molecule from a vibration energy level with a vibration quantum number of 0 to a vibration energy level with a vibration quantum number greater than or equal to 1) of each vibration mode is defined for the first time, and then the vibration activation energy of the whole molecule is determined based on the vibration activation intensity and the frequency.

The invention discloses a crop seedling rapid breeding method and equipment based on a quantum technology, and the method comprises the steps: obtaining quantum scale physiological signals and quantum field parameters of key biomolecules in different growth stages of wheat in real time, and calculating a real-time matching degree score from the three dimensions of a frequency matching degree, an intensity adaptation degree and a time collaboration degree; and dynamically adjusting the frequency, the power density and the pulse mode of the quantum field so as to accurately match the physiological needs of the crops in each stage, and cooperatively regulating and controlling the macroenvironmental factors such as illumination, temperature, CO2 and water and fertilizer so as to adapt to the quantum process. According to the technical scheme, key quantum scale physiological processes such as wheat photosynthesis, vernalization and grouting can be directly intervened, energy is directly injected through matching of the quantum field and the molecular vibration frequency, the cell division and metabolism rate is remarkably increased, the breeding period is effectively shortened, and the breeding efficiency and the crop yield are improved.

The invention relates to the technical field of electrical equipment insulation state detection, in particular to an insulation packaging material deterioration detection method and system based on molecular vibration, and the method comprises the steps: applying a periodic high-voltage square-wave pulse voltage to a to-be-detected insulation packaging material sample; the method comprises the following steps: detecting a molecular vibration sound wave signal of a to-be-detected insulation packaging material excited by a transient electric field force, capturing a transient molecular vibration waveform in a specific acquisition window after a pulse edge is captured, performing multi-dimensional feature extraction on the acquired transient molecular vibration waveform, and extracting the multi-dimensional features of the extracted transient molecular vibration waveform according to the multi-dimensional features of the transient molecular vibration waveform. And inputting to a pre-constructed evaluation model or comparing with a preset threshold value, and outputting the current degradation degree or degradation evaluation result of the to-be-tested insulation packaging material. The time domain amplitude, the waveform form, the relaxation time and the wavelet entropy of the vibration waveform are extracted through multi-dimensional features, and the degradation degree evaluation of the insulation packaging material is realized by adopting double criteria of mechanical destruction and energy dissociation.

The present application relates to the technical field of probabilistic bit device, and particularly relates to a single-molecule probabilistic bit device based on external circuit coupling, a preparation method and application, the single-molecule probabilistic bit device comprises a single-molecule junction formed by a graphene electrode pair and a probabilistic bit functional group, and a plurality of rigid benzene rings in a triphenylmethyl skeleton in the single-molecule junction realize high delocalization of unpaired electrons through a conjugated structure, effectively weakening the coupling effect between spin and molecular vibration, conformational fluctuation, inhibiting the rapid decoherence process caused by phonon scattering from the molecular structure level, so that the spin state can still maintain a limited coherence lifetime at room temperature, and the basic requirement of the device on the spin state holding time can be met.The device has randomness, controllability and scalability at the circuit level, and provides a hardware basis for constructing a brain-like probabilistic computing network.The preparation method provided by the present application is simple in process and is conducive to large-scale production.

The application discloses a material adsorption amount and structure response characterization analysis method, equipment and storage medium. By combining a cantilever beam with a Fourier transform infrared spectrometer, the gas adsorption behavior of an adsorption material and micro-molecular vibration information thereof are synchronously detected by using the super-sensitive mass detection function of the cantilever beam and the in-situ infrared spectrum technology. The application can test trace adsorption materials, is favorable for the research on the adsorption mechanism, can synchronously monitor the structure change of the adsorption material in an in-situ mode, is higher in accuracy, realizes full-scale analysis from a macroscopic adsorption amount to a micro-bonding mechanism, and provides a deep analysis tool for the design and application of porous materials.

To provide a quality inspection method of a resin material capable of nondestructively evaluating the susceptibility of the resin material containing a base polymer of a fluororesin and a pigment to external damage.SOLUTION: And an evaluation step of evaluating a degree of aggregation of the pigment in the resin material based on a distribution of an intensity of a first peak attributed to molecular vibration or lattice vibration of the pigment obtained by the mapping measurement, in which a base polymer of the resin material is a fluorine-based resin.SELECTED DRAWING: Figure 6

The invention relates to the technical field of coal-fired power generation, and discloses a coal quality detection data intelligent analysis method and system.The method comprises the steps that cyclic sampling operation is executed at multiple spatial positions of an outlet pipeline of a coal mill, and a pulverized coal sample is obtained; quantitatively intercepting the pulverized coal sample, and applying preset pressure to form a to-be-measured entity; performing multi-physical quantity signal acquisition on an entity to be detected to obtain a dielectric characteristic signal reflecting the moisture content, a molecular vibration spectrum signal reflecting organic components and an atomic characteristic spectrum signal reflecting mineral elements; extracting characteristic values in the dielectric characteristic signal, the molecular vibration spectrum signal and the atomic characteristic spectrum signal, substituting the characteristic values into a preset quantitative correlation equation set, synchronously solving to obtain a moisture index, an ash index and a calorific value index, comparing the moisture index, the ash index and the calorific value index with corresponding preset reference values, generating and executing a coal mill adjusting instruction, and performing fusion analysis on multiple physical quantity signals to obtain a coal mill adjusting result. And an accurate data basis is provided for real-time fine adjustment of boiler combustion.

The application discloses a method for diacetylene topological chemical reaction, which comprises the following steps: spin-coating a diacetylene solution on a substrate to form a coating film; and irradiating the coating film with an infrared light source to generate polydiacetylene through reaction. Compared with the side reactions and degradation caused by high-energy rays which make materials enter an electronic excited state, and the material fragmentation caused by the violent spatial change of molecules under high polymerization, the mid-infrared light vibration excitation in the method can be used as a means for initiating the vibration of molecules in an electronic ground state, and can be more widely close to a potential energy surface under mild conditions, so that various adverse effects generated in the electronic excited state can be avoided.

An optical fluid sensor is disclosed, wherein the optical fluid sensor comprises, integrated into a common chip:a substrate;an optoelectronic active material stack intended to be exposed to a fluid or to an intermediate element exposed to said fluid or to said intermediate element exposed to said fluid;a polaritonic launcher to, upon illumination, launch polaritons into the optoelectronic active material stack to propagate there across; andcircuitry in electrical contact with an electrically active material structure of the stack.The optoelectronic active material stack is configured and arranged so that the polaritons optically interact with one or more molecular vibrational modes of the fluid, and the circuitry together with the electrically active material structure are configured and arranged to sense the fluid by transducing those optical interactions into an electrical signal.An optical fluid sensor arrangement, such as an array, comprising a plurality of the optical fluid sensors of the invention is also disclosed.

The invention discloses an intermediate infrared strong coupling metasurface platform based on a self-hybridization molecular structure. The platform comprises: a substrate; the substrate has asymmetry, and the refractive index is greater than or equal to 1.4; infrared active molecular structures are periodically arranged on the surface of the substrate, and the period range is 100-7000 nm; each infrared active molecule structure comprises two groups of infrared active molecule units of rod-shaped units; the two groups of infrared active molecule units are parallel to each other and have overlapped symmetric axes; and the size difference of the two groups of infrared active molecule units in the length direction is 150-2100 nm. According to the platform, mid-infrared quasi-continuous and bound modes are induced through structural design, so that molecules serve as oscillators and resonant cavities, and self-matching in space and frequency is achieved. And finally, strong light-molecular vibration coupling is realized in a middle-infrared band, and high Q factor, high sensitivity, wide material adaptability and structural adjustability are shown.

A method and a system for making ultrashort light sources, using a pulsed driving laser, a nonlinear medium; a hollow waveguide filed with the nonlinear medium; an input power control selected according to a central wavelength of the driving laser to control an input pulse energy from the driving laser in the hollow waveguide, a duration of the input pulse of the driving laser being selected according to a dephasing time of a molecular vibration of the nonlinear medium, the input pulse driving vibrational stimulated Raman Scattering in the nonlinear medium-filled hollow waveguide; interaction of the input pulses with the nonlinear medium in the hollow waveguide resulting as output in anti-Stokes and Stokes pulses.

The invention discloses an ultra-fast transparentizing reagent for a stimulated Raman scattering microscope and application of the ultra-fast transparentizing reagent. The transparent reagent is formed by dissolving three main components of urea, imidazole and a detergent TritonX-100 in double distilled water or a phosphate buffer solution; the treatment method comprises the following steps: fixing and cutting the biological tissue, soaking the biological tissue in the transparent reagent until the biological tissue becomes transparent, and flaking and imaging the transparent biological tissue. According to the experiment, a stimulated Raman scattering microscope is selected as an imaging tool, and the core principle of the stimulated Raman scattering microscope is based on the stimulated Raman scattering effect of the molecular vibration energy level: the characteristic Raman peaks of protein stretching vibration and lipid stretching vibration are respectively targeted by adjusting the wave number difference of double light beams (pump light and Stokes light) in the system; and then spatial distribution imaging and qualitative analysis of the two types of biomolecules in the sample are completed. The method is convenient to purchase and low in price, the method is simple and easy to implement, the time required for sample treatment is greatly shortened, and the applicability is wide.

The application discloses an assembly synergistic near-infrared two-region nanoparticle based on an electron-rich polymer and a preparation method and application thereof, and belongs to the technical field of precise optical diagnosis and treatment of major diseases such as tumors, and proposes an assembly synergistic strategy, takes an electron-rich block polymer as a carrier, forms an intermolecular electron donor-electron acceptor unit between the carrier and a near-infrared two-region molecule, reduces the singlet and triplet energy level difference of the molecule, promotes inter-gap crossing, effectively inhibits molecular vibration, and thus improves the diagnosis and treatment performance. Compared with a traditional performance optimization method at the molecular level, the application adopts a simple and easy self-assembly strategy, successfully overcomes the problems of low active oxygen yield and low fluorescence quantum yield of the near-infrared two-region optical diagnosis and treatment material, can provide a new and effective means for the precise diagnosis and treatment of major diseases such as tumors, and has a wide application prospect.

The invention discloses a Raman-near infrared spectrum combined intelligent sensor and a detection method, and relates to the technical field of spectrum intelligent sensing detection, a Raman laser light source is excited by a constant current pulse driving module to generate pulse laser, and a near infrared light source is combined to form Raman-near infrared mixed light; the method comprises the following steps of: performing dispersion according to wavelength by an MOEMS light splitting component, performing shunt detection, dynamically amplifying two paths of electric signals through a dynamic gain adjustment method, removing cross crosstalk through dual-band notch filtering, performing synchronous analog-to-digital conversion and performing wavelet transform noise reduction, and establishing characteristic peak space correlation mapping based on a molecular vibration-rotation coupling principle. Raman spectrum comparison qualitation and corrected partial least square method quantification are combined, trace components are identified through characteristic peak expansion, and finally accurate qualitative and quantitative detection of the sample is achieved.

The invention relates to the technical field of substance composition detection, and discloses an infrared spectrum comprehensive detection device based on multi-sensor fusion. Through the combination of the vacuum heat insulation cabin body and the environment adjusting module, the temperature fluctuation in the cabin is controlled within + / -0.1 DEG C, the humidity fluctuation is within + / -2% RH, the spectrum drift caused by environment interference is reduced, the detection stability is improved compared with that of a traditional device, and the device is particularly suitable for being used in a complex environment outside a laboratory. Multi-degree-of-freedom adjustment (sliding seat translation and 360-degree rotation of the rotary table) of the sample table is matched with a multi-dimensional sensing module, so that full-area and multi-state detection of the sample is realized, and the problem of insufficient representativeness of single-point detection is avoided. Through cooperative collection of the environment sensing unit and the sample characteristic sensing unit, a multi-dimensional data chain of environmental parameters-sample physical states-molecular vibration information is constructed, isomers are effectively distinguished through data fusion, and the recognition accuracy is improved.

This invention relates to the field of spectroscopic analysis technology, specifically to a method for molecular vibration and hydrogen bond network analysis. This method involves acquiring terahertz absorption spectra of samples at different temperatures; acquiring Raman scattering spectra of samples; constructing a unit cell model of the target peptide and calculating its theoretical vibrational spectrum; obtaining the evolution of frequency offset parameters and full width at half maximum (FWHM) parameters with temperature, and performing mathematical fitting; comparing the terahertz absorption and Raman scattering spectra with the theoretical vibrational spectrum to identify the molecular vibrational modes corresponding to each characteristic absorption and scattering peak; performing mode decomposition on the calculated multiple infrared active vibrational modes to quantitatively distinguish the contribution ratios of intermolecular translation, intermolecular rotation, and intramolecular vibration in each vibrational mode; and analyzing the relative changes in bond length and bond angle of intermolecular hydrogen bonds within the target peptide unit cell. This invention systematically analyzes the vibrational behavior of peptide molecules, especially KLVFF peptides.

The invention belongs to the technical field of organic electroluminescence preparation, and particularly relates to a platinum (II) complex guest phosphorescent material with a spirofluorene structure, an electronic device, a device and application of the platinum (II) complex guest phosphorescent material. The core of the invention lies in that a rigid spirofluorene fragment with large steric hindrance is introduced into N-heterocyclic carbene of the platinum (II) complex, so that the molecular rigidity is remarkably enhanced, the structural deformation between a ground state and an excited state is reduced, and non-radiative decay caused by molecular vibration is fundamentally inhibited. Substituent groups are introduced to 2 ', 7' positions of 9, 9 '-spirobifluorene to increase steric hindrance, light-emitting quenching caused by molecular aggregation is inhibited, non-radiative transition can be further inhibited, and quantum efficiency is improved. The quantum efficiency of an organic light-emitting device manufactured by using the compound as a light-emitting layer is obviously improved.