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Exceptions to the Octet Rule02:55

Exceptions to the Octet Rule

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Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:
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Chirality at Nitrogen, Phosphorus, and Sulfur02:30

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Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
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Sulfides are the sulfur analog of ethers, just as thiols are the sulfur analog of alcohol. Like ethers, sulfides also consist of two hydrocarbon groups bonded to the central sulfur atom. Depending upon the type of groups present, sulfides can be symmetrical or asymmetrical. Symmetrical sulfides can be prepared via an SN2 reaction between 2 equivalents of an alkyl halide and one equivalent of sodium sulfide.
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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.
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Updated: Feb 20, 2026

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV
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平面六坐标硫和.

Ya-Xuan Cheng1, Li-Xia Bai1, Jin-Chang Guo1

  • 1Institute of Molecular Science, Shanxi University, Taiyuan 030006, China.

The Journal of chemical physics
|February 18, 2026
PubMed
概括
此摘要是机器生成的。

研究人员预测了第一个平面六坐标硫和 (phS/Se) 集群,X©Li6H62-. 这些稳定的结构挑战了素的常规协调限制.

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科学领域:

  • 计算化学计算化学
  • 无机化学 无机化学 有机化学
  • 材料科学 材料科学 材料科学

背景情况:

  • 实现平面六坐标原子是化学的一个重大挑战.
  • 元素,如硫和,通常表现出较低的协调数.

研究的目的:

  • 预测和描述新的平面六坐标硫和 (phS/Se) 集群.
  • 研究这些独特物种的结构稳定性和结合性.

主要方法:

  • 高级定量电子结构计算.
  • 波恩-奥本海默分子动力学模拟用于稳定性评估.
  • 能量分解分析-化学价值的自然轨道 (EDA-NOCV) 用于结合分析.

主要成果:

  • 第一个平面六坐标的硫和集群,X©Li6H62- (X = S, Se),是通过计算预测的.
  • 这些星团采用稳定的单点D6h对称结构,其中一个中心的S/Se原子与一个Li6六边形结合,其本身由原子覆盖.
  • 结合分析揭示了一种独特的电子结构,其中有单独的对,非定位的西格玛键和多中心的离子键,这有助于稳定性.

结论:

  • 预测的phS/Se集群代表了突破,扩大了素元素的协调化学.
  • 这些平面六坐标结构的高稳定性通过动态模拟得到证实.
  • 这些发现为在理论和实验研究中探索新的平面六坐标复合体开辟了新的途径.