53 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 discloses a characterization analysis method and device for material adsorption capacity and structural response and a storage medium. A cantilever beam is combined with a Fourier transform infrared spectrometer, and the ultra-sensitive quality detection function of the cantilever beam and an in-situ infrared spectrum technology are utilized to synchronously detect the gas adsorption behavior of the adsorption material and the microcosmic molecular vibration information of the adsorption material. According to the invention, a trace amount of adsorption material can be tested, the research on an adsorption mechanism is facilitated, the structural change of the adsorption material can be synchronously monitored in an in-situ manner, and the accuracy is higher; the full-scale analysis from the macroscopic adsorption capacity to the microcosmic bonding mechanism is realized, and a deep analysis tool is provided for the design and application of the porous material.

According to the distributed fiber grating sensor provided by the invention, the optical pulse and the broadband laser are emitted in a time-sharing manner through the integrated composite light source module, and the cooperative monitoring of Raman scattering temperature measurement and Bragg grating stress measurement is realized on the same sensing optical fiber in combination with the optical path design of the wavelength division multiplexer and the optical circulator. According to the scheme, the high-temperature adaptability of the Raman scattering effect, namely a stable linear relation between molecular vibration frequency shift and temperature, is utilized, signals and stress are completely decoupled, the problem of cross sensitivity of a traditional single sensor is avoided, and independent measurement can be achieved without temperature compensation; meanwhile, a distributed measurement mode enables the sensor to still perform high-precision synchronous monitoring on temperature and stress in a high-temperature environment of 600-900 DEG C, so that the measurement process in an industrial complex scene is simplified, and the system reliability is improved.

The invention relates to the technical field of ore raw material analysis, and discloses an intermediate fusion strategy ore sample classification method based on random model combined data, and the method comprises the following steps: S1, collecting LIBS spectrum and Raman spectrum data of a manganese ore sample; s2, preprocessing the spectral data; s3, performing dimensionality reduction on the preprocessed LIBS and Raman data by adopting principal component analysis; s4, splicing the feature matrixes after dimension reduction to construct an intermediate fusion data set; s5, training a random forest classification model based on the intermediate fusion data set; and S6, carrying out classification and identification on the manganese ore samples by utilizing the trained model. According to the method, metal element characteristic spectral lines captured by the LIBS spectrum and molecular vibration characteristics identified by the Raman spectrum are organically integrated through an intermediate fusion strategy, two-dimensional identification is achieved, redundant information is effectively eliminated while main characteristics of the spectrum are reserved, and the accuracy and reliability of manganese ore sample classification are remarkably improved.

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 relates to a wooden product space displacement laser spectrum detector, which comprises a surface layer infrared diffuse reflection spectrum detection light path: infrared laser is transmitted by an optical fiber and then passes through a 45-degree reflector to enter an interferometer, a modulated light beam irradiates the surface of a sample through a diffuse reflection accessory, and reflected light is finally received by a detector to realize surface layer component analysis; the sensor is used for acquiring molecular vibration information of woodwork surface layers; according to the base layer infrared laser space displacement scattering detection light path, infrared laser forms an annular light beam through a conical lens after being subjected to beam expanding and collimation, the annular light beam is reflected by a 45-degree dichroscope and then vertically irradiates a sample, a focusing ring is formed on the surface layer, base layer scattered light returns from the ring center, is reversely transmitted through the same light path and is finally received by a detector, and deep layer structure detection is achieved. A deep scattering signal is excited through annular laser, and subsurface structure detection is achieved; and component and structure dual-mode detection is synchronously realized through dual-light-path layered detection, so that material identification of the surface layer and the base layer is realized at the same time.

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.

A system comprises a memory that stores computer executable components, and a processor that executes the computer executable components stored in the memory, wherein the computer executable components comprise: an execution component that directs execution of a time dependent quantum algorithm at a quantum processor of a quantum system, wherein the quantum algorithm comprises propagating a wave packet in time under a determined Hamiltonian, resulting in a measurable output at the quantum system, and an evaluation component that determines an expectation value based on the output and corresponding to a vibrationally resolved electronic spectrum of a molecule.

The present invention provides an upconversion luminescent material and its preparation method and application, which belongs to the field of luminescent materials. The present invention provides an upconversion luminescent material, which is a core-shell structure, wherein the core is Ho 3+ Ion doping AR2(BO4)4 or Ho 3+ Ion doped ABO4, shell is Yb 3+ Ion doping AR2(BO4)4 or Yb 3+ Ion doping ABO4; A is a divalent transition metal ion or a divalent main group metal ion; R is a trivalent rare earth metal ion; B is Mo 6+ or W 6+ The present invention converts Yb 3+ ions are doped into the matrix material and encapsulated with Ho 3+ The core layer doped with luminescent center ions increases the distance between the luminescent center and the surface defects of the upconversion nanoparticles, reducing the influence of surface defects and surface organic molecular vibration on upconversion luminescence; at the same time, the Yb 3+ The shell layer enhances the absorption of excitation light by the upconversion luminescent material.

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 invention discloses a method, a device and equipment for confirming molecular vibration activation energy, a medium and a product, and relates to the technical field of thermal vibration activation. According to the molecular vibration activation energy confirmation method, the energy distribution and the frequency of molecular vibration in each vibration mode and the number distribution of molecular vibration on each vibration energy level in each vibration mode are obtained, and the vibration activation intensity on each vibration energy level in each vibration mode is determined according to the energy distribution and the number distribution. And finally, determining the overall vibration activation energy of the molecules based on the vibration activation intensity and frequency. The overall vibration activation energy of the molecules is determined on the basis of the vibration activation intensity and frequency by defining the vibration activation intensity positively correlated with the ability of vibration activation (transition of the molecules from a vibration level with a vibration quantum number of 0 to a vibration level with a vibration quantum number of greater than or equal to 1) in a vibration mode for the first time.

The invention relates to an acoustic testing method and system for a flexible material, and the method comprises the steps: placing the flexible material in a sleeve, placing the sleeve in an impedance tube, and constructing the sound wave sound pressure of the flexible material with the sleeve in the impedance tube, the sound wave sound pressure comprises incident sound wave sound pressure and sound wave sound pressure returned after the action of a flexible material; the sound wave sound pressure returned after the action of the flexible material is expressed by Bessel series; constructing an air medium molecule vibration speed according to the sound wave sound pressure represented by the Bessel series; solving the returned sound wave pressure and air medium molecule vibration speed by using the sound wave pressure and the air medium molecule vibration speed represented by the Bessel series; and S5, solving the acoustic impedance rate of the flexible material according to the solved returned sound wave pressure and the air medium molecule vibration speed, and solving the sound absorption coefficient based on the acoustic impedance rate. According to the invention, the acoustic performance of the fluffy porous acoustic material can be effectively tested.

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.

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, strong rigidity and small molecular vibration, and can realize narrow-spectrum emission and improve the color purity of light; meanwhile, the distance between molecules is increased, the acting force between the molecules is small, quenching caused by aggregation can be overcome, the luminous efficiency of the device is improved, and the service life of the device is prolonged.

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 a cuprous iodide organic-inorganic hybrid material. The cuprous iodide organic-inorganic hybrid material is a compound synthesized by taking methylpyridinium functionalized benzothiadiazole LS I or methylpyridinium functionalized benzoselenadiazole LSe I as a basic ligand and CuI. According to the cuprous iodide organic-inorganic hybrid material disclosed by the invention, a cationic charge center is introduced on the premise of maintaining the coordination capability of a ligand, so that the band gap of the hybrid material is remarkably narrowed, long-wavelength near-infrared (gt; 900 nm) luminescence is realized, and meanwhile, the vibration of molecules is remarkably reduced and the quantum yield is improved by virtue of a special interaction form between organic and inorganic components.

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.

A microscopic imaging method for creating a microscopic sample image (1A) of a sample (1) comprises the steps of arranging the sample (1) on a sampling crystal (10); irradiating the sample (1) with excitation laser pulses (2, 3) and generating sample response pulses (4) with a sample response field as a result of an interaction of the excitation laser pulses (2, 3) with the sample (1); irradiating the sampling crystal (10) with probe laser pulses (5) being temporally synchronized with the excitation laser pulses (2, 3) and spatially overlapped with the sample response pulses (4) in the sampling crystal (10), wherein the probe laser pulses (5) have a shorter wavelength than the excitation laser pulses (2, 3); detecting the sample response field by electric-field sampling with the sampling crystal (10), using the sample response pulses (4) and the probe laser pulses (5); and calculating the sample image (1A) based on the detected sample response field, wherein the excitation laser pulses (2, 3) have a wavelength in a range from mid-infrared to visible light and the sample response pulses (4) are created by a coherent interaction process induced in the sample (1) and with a fixed phase relationship relative to the excitation laser pulses (2, 3), the sampling crystal (10) is a non-centrosymmetric crystal, the irradiating step is repeated at multiple sample points (1A), wherein at each sample point (1A) the irradiating steps are successively repeated with multiple temporal probe delays of the probe laser pulses (5) relative to the excitation laser pulses (2, 3), at each probe delay, a sum or difference frequency pulse (6) of a sample response pulse (4) and a probe laser pulse (5) is generated, and at each probe delay, a spectral interference pulse (7) is created by a spectral interference of the sum or difference frequency pulse (6) and the current probe laser pulse, the detecting step includes sensing a polarization state of the spectral interference pulse (7) by an ellipsometer device (40) at each probe delay, wherein the local sample response field at the sample point (1A) is derived from the polarization states sensed at all probe delays, and the sample image (1A) is calculated based on the sample response field detected at the sample points (1A). Furthermore, a microscopic imaging apparatus is described.

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 invention discloses an organic electroluminescent compound containing a triazine group and an organic light-emitting device. The compound is selected from the compound represented by Formula 1: #imgabs0#, wherein R1-R26 is selected from hydrogen, deuterium, hydroxyl, cyano, C1-C4 linear or branched alkyl, C5-C6 cycloalkyl, substituted or unsubstituted C5-C40 aromatic group, or substituted or unsubstituted C5-C40 heteroaryl group; the substituent is selected from at least one of the following atoms or groups: deuterium, hydroxyl, cyano, monodeuteriomethyl, dideuteriomethyl, trideuteriomethyl, C1-C4 linear or branched alkyl, C6-C18 aromatic group, or C5-C24 heteroaryl group; and at least one of R1-R8 is deuterium. The present invention reduces molecular vibration and improves luminous efficiency by deuterating the carbazole. The present invention provides a phenyl group connected to the ortho position of carbazole on the transition phenyl group. This structural design helps to promote energy transfer within the molecule, thereby improving energy utilization efficiency and luminous efficiency. The introduction of deuterated carbazole and ortho-biphenyl improves the chemical stability of the compound and helps to increase the service life of the device.

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.