在高达158 GPa的玻璃状GeO2中没有超过六倍的协调,由X射线吸收光谱学揭示
João Elias F S Rodrigues1, Angelika D Rosa1, Emin Mijit1
1European Synchrotron Radiation Facility, Grenoble 38000, France.
概括
高压X射线吸收光谱揭示了玻璃状的二氧化 (GeO2) 如何压缩. 在极端压力下,它的结构仍然灵活,边缘共享八面体持续到158GPa.
科学领域:
- 材料科学 材料科学 材料科学
- 地质物理学 地质物理学
- 固态化学 固态化学
背景情况:
- 与晶体固体相比,二元氧化物玻璃表现出独特的压缩行为.
- 了解无形材料的高压结构反应对地质物理学和材料科学至关重要.
研究的目的:
- 为了研究高压下高达158 GPa的玻璃状GeO2中 (Ge) 周围的局部结构变化.
- 为了比较玻璃状GeO2的压缩机制与其晶体对应物.
主要方法:
- 高压X射线吸收光谱 (XAS) 使用钻石细胞 (DAC).
- 为了确保结果的可靠性,进行了四次独立的实验运行,带有和没有压力传递介质.
主要成果:
- 压力介质对高达30GPa的GeO键长度没有显著的影响.
- 观察到10-30GPa之间的GeO键长度演变的变异性,类似于晶体多态,表明结构灵活性.
- 从30-158 GPa,边缘共享八面体仍然是玻璃般的GeO2.2中占主导地位的结构图案.
- 压缩主要通过八面体结合角度扭曲到100 GPa发生,过渡到八面体扭曲作为100 GPa以上的主要机制.
- 由于动力约束,玻璃GeO2的紧缩效率略低于晶体类型.
结论:
- 玻璃GeO2在高压下表现出显著的结构灵活性,可以容纳各种原子配置.
- 无形结构的GeO2保持边缘共享八面体作为主要的动机高达158GPa.
- 玻璃状GeO2中的压缩机制与晶体形式略有不同,突出了无形结构对材料对压力的反应的影响.
相关概念视频
Crystal Field Theory - Octahedral Complexes
30.5K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
30.5K
Crystal Field Theory - Tetrahedral and Square Planar Complexes
48.0K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
48.0K
Colors and Magnetism
13.9K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
13.9K
Valence Bond Theory
11.1K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.1K
X-ray Crystallography
25.7K
The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
25.7K
Coordination Number and Geometry
18.8K
For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
18.8K


