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相关概念视频

Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

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To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
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To determine the electron configuration for any particular atom, we can build the structures in the order of atomic numbers. Beginning with hydrogen, and continuing across the periods of the periodic table, we add one proton at a time to the nucleus and one electron to the proper subshell until we have described the electron configurations of all the elements. This procedure is called the aufbau principle, from the German word aufbau (“to build up”). Each added electron occupies the...
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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
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平面四坐标氧原子 氧原子

Gabriela Castillo-Toraya1, Filiberto Ortíz-Chi2, Jorge Barroso3

  • 1Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados, Unidad Mérida, Mérida, Yucatán, México.

Angewandte Chemie (International ed. in English)
|February 21, 2025
PubMed
概括

研究人员发现了35个具有平面四坐标氧 (ptO) 原子的新稳定结构,挑战了传统的结合理论. 这些发现促进了对非传统氧结合及其潜在应用的理解.

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科学领域:

  • 无机化学 无机化学
  • 计算化学的计算化学
  • 材料科学 材料科学 材料科学

背景情况:

  • 平面四坐标氧 (ptO) 原子在化学中非常罕见.
  • 现有的 ptO 的例子是有限的,这阻碍了对其特性和形成的全面理解.

研究的目的:

  • 系统地探索含有 ptO 原子的潜在化学结构.
  • 为了确定稳定的含有 ptO 的集群,并分析它们的结合特性.
  • 挑战现有的化学结合范式,推进非传统结合的研究.

主要方法:

  • 515个潜在OXnYm^q结构的计算选,这些结构符合18价值电子规则.
  • 高层次的初始计算以确定全球最小值.
  • 结合分析以描述相互作用和电子移位.

主要成果:

  • 确定含有 ptO 原子的 35 个稳定的全球最小值.
  • 主要稳定 ptO 集群由 13 组元素.
  • 观察各种各样的结合相互作用,从共价到极性离子,具有显著的电子移位.

结论:

  • 这项研究显著扩大了已知的 ptO 含有结构的例子.
  • 这些发现挑战了传统的结合理论,并为化学结合提供了新的见解.
  • 已识别的 ptO 集群显示了气相检测应用的潜力.