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Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

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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,...
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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
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Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
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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...
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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.
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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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酸玻璃:超越四面体网络结构

Esther Girón Lange1,2, Randall E Youngman3, Bruce G Aitken3

  • 1Department of Physics, University of Bath, Bath BA2 7AY, United Kingdom.

The Journal of chemical physics
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PubMed
概括
此摘要是机器生成的。

酸玻璃表现出结构的变化,随着含量的增加,P-O-P键的减少和协调的增加. 这种结构灵活性是它们形成玻璃的关键.

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科学领域:

  • 材料科学 材料科学 材料科学
  • 固态化学 固态化学
  • 玻璃科学 玻璃科学

背景情况:

  • 酸玻璃是一种非典型的玻璃成型系统.
  • 了解它们的结构对于开发新材料至关重要.
  • 之前的研究缺乏对这些眼镜的详细结构见解.

研究的目的:

  • 为了阐明酸玻璃的结构 (TiO2) x(P2O5) 1-x.
  • 为了确定结构图案的组成依赖性.
  • 为未来的玻璃结构研究提供一个基准.

主要方法:

  • 结合中子和高能X射线衍射.
  • 固态 31P 核磁共振 (NMR) 光谱. 固态 31P 核磁共振 (NMR) 光谱.
  • 拉曼光谱和初始分子动力学模拟.

主要成果:

  • 随着TiO2含量的增加,P-O-P债券从23%降至11%.
  • 增加Ti-O协调数从5.32(7) 增加到5.49(7).
  • 五和六坐标的的普遍存在以及O (II) 和O (III) 氧原子的共存.

结论:

  • 结构的变化,包括Ti协调和氧气环境,推动了玻璃化.
  • 酸盐组形成P-O(II) -Ti和P-O(III) - 2Ti的连接.
  • 这些发现提供了对高协调多面体系统中的玻璃形成的见解.