- 标题
- 摘要
- 关键词
- 实验方案
- 产品
-
Determination of diffraction time and influence of strip moving speeds on texture measurement using X-ray area detector
摘要： In this study, the two most important factors, diffraction time and the influence of the strip moving speed on diffraction accuracy, are analyzed using a laboratory two-dimensional X-ray diffraction system. The results indicate that 2 s is a diffraction time that satisfies both requirements of detection speed and accuracy. The strip moving speed has a certain influence on the detection accuracy, but the influence of the strip moving speed on the diffraction accuracy can be neglected within a strip moving speed of 0.65 m/s. The measurement of online texture and mechanical properties, combined with the fast texture detection theory and mechanical properties calculation model, can be realized in a steel production factory.
关键词： fast texture detection,diffraction time,X-ray area detector,strip moving speeds
更新于2025-09-23 15:23:52
-
Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2′-hydroxyphenyl)imidazo[1,2- <i>a</i> ]pyridines and 1,2-phenylenediboronic acid
摘要： Three new blue-luminescent complexes of selected imidazo[1,2-a]pyridine derivatives and 1,2-phenylenediboronic acid have been synthesized and structurally characterized using single-crystal X-ray diffraction. Additionally, the crystal structures of two of the (N,O)-donor compounds have been evaluated for the first time. The crystal packing and molecular motifs observed in the studied crystals have been thoroughly analysed, including computational studies, and are also discussed within the context of analogous systems reported in the literature. It appears that the new compounds form different crystal networks with regard to the asymmetric unit content and packing, although some similarities can be found. In all cases a typical centrosymmetric dimer bound via boronic acid groups is formed, characterized by an interaction energy of about -80 kJ mol-1, while the 2-(2'-hydroxyphenyl)imidazo[1,2-a]pyridine complex and its methoxy derivative form solvate structures, somewhat resembling the previously studied 8-oxyquinolinate analogues. As far as the spectroscopic properties are concerned, the lowest energy excitation observed in the studied complexes is based on the highest occupied molecular orbital–lowest unoccupied molecular orbital transition, and both these molecular orbitals are centred predominantly on the (N,O)-donor species according to the results of time-dependent density functional theory. Thus, the charge transfer observed for the 8-oxyquinolinate equivalents does not occur in these cases. Consequently, the spectroscopic behaviour of the series is very much comparable with that of the parent imidazo[1,2-a]pyridine derivatives, if the excited-state intramolecular proton-transfer process does not take place, as shown by the absorption and emission spectra collected in toluene and acetone solutions. Complexation causes a reduction in the Stokes shift compared with the respective (N,O)-donor molecules.
关键词： periodic calculations,TDDFT,UV–Vis spectroscopy,X-ray diffraction,time-dependent density functional theory,spectroscopic properties,luminescent boron complexes,transferred aspherical atom model (TAAM) refinement
更新于2025-09-23 15:22:29
-
Upgrade of laser pump time-resolved X-ray probes in Beijing synchrotron
摘要： The upgrade of the laser pump time-resolved X-ray probes, namely time-resolved X-ray absorption spectroscopy (TR-XAS) and X-ray diffraction (TR-XRD), implemented at the Beijing Synchrotron Radiation Facility, is described. The improvements include a superbunch fill, a high-efficiency fluorescence collection, an efficient spatial overlap protocol and a new data-acquisition scheme. After upgrade, the adequate TR-XAS signal is now obtained in a 0.3 mM solution, compared with a 6 mM solution in our previous report. Furthermore, to extend application in photophysics, the TR-XAS probe is applied on SrCoO2.5 thin film. And for the first time, TR-XAS is combined with TR-XRD to simultaneously detect the kinetic trace of structural changes in thin film.
关键词： time-resolved X-ray diffraction,time-resolved X-ray absorption spectroscopy,thin films,laser pump/X-ray probe
更新于2025-09-12 10:27:22
-
Time-resolved structure analysis of piezoelectric crystals by X-ray diffraction under alternating electric field
摘要： Rare-earth substitution effects on atomic motions in resonantly vibrating piezoelectric oscillators of langasite-type crystals, namely, La3Ga5SiO14 (LGS) and Nd3Ga5SiO14 (NGS), are revealed by time-resolved X-ray crystal structure analysis under alternating electric fields. Deformations of Ga–O–Ga and Ga–O–Ga/Si bond angles accompanying deformations of RE–O (RE: La or Nd) bond lengths found in LGS are suppressed in NGS. Alternatively, rigid GaO6 octahedra are deformed in NGS. The decreases in RE–O bond lengths and Ga–O–Ga and Ga–O–Ga/Si bond angles caused by the substitution of La by Nd would make the bond lengths and angles more difficult to deform under electric fields; hence, the piezoelectric constants of NGS are smaller than those of LGS.
关键词： rare-earth substitution,piezoelectric crystals,alternating electric field,X-ray diffraction,time-resolved structure analysis
更新于2025-09-09 09:28:46