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相关概念视频

The Aufbau Principle and Hund's Rule03:02

The Aufbau Principle and Hund's Rule

72.0K
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...
72.0K
Coordination Compounds and Nomenclature02:54

Coordination Compounds and Nomenclature

26.2K
In most main group element compounds, the valence electrons of the isolated atoms combine to form chemical bonds that satisfy the octet rule. For instance, the four valence electrons of carbon overlap with electrons from four hydrogen atoms to form CH4. The one valence electron leaves sodium and adds to the seven valence electrons of chlorine to form the ionic formula unit NaCl (Figure 1a). Transition metals do not normally bond in this fashion. They primarily form coordinate covalent bonds, a...
26.2K
Exceptions to the Octet Rule02:55

Exceptions to the Octet Rule

37.0K
Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:
37.0K
Noble Gases02:54

Noble Gases

22.3K

The elements in group 18 are noble gases (helium, neon, argon, krypton, xenon, and radon). They earned the name “noble” because they were assumed to be nonreactive since they have filled valence shells. In 1962, Dr. Neil Bartlett at the University of British Columbia proved this assumption to be false.
22.3K
Electron Configuration of Multielectron Atoms03:26

Electron Configuration of Multielectron Atoms

64.3K
The alkali metal sodium (atomic number 11) has one more electron than the neon atom. This electron must go into the lowest-energy subshell available, the 3s orbital, giving a 1s22s22p63s1 configuration. The electrons occupying the outermost shell orbital(s) (highest value of n) are called valence electrons, and those occupying the inner shell orbitals are called core electrons. Since the core electron shells correspond to noble gas electron configurations, we can abbreviate electron...
64.3K
Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

Lewis Structures of Molecular Compounds and Polyatomic Ions

44.6K
To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
44.6K

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Updated: Jan 15, 2026

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
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Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry

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贵重气体综合体的基于电子结构的设计规则

Alejandro Vásquez-Espinal1, Rodrigo Báez-Grez2, Ricardo Pino-Rios3

  • 1Química y Farmacia, Facultad de Ciencias de la Salud, Universidad Arturo Prat, Casilla 121, Iquique 1100000, Chile.

Dalton transactions (Cambridge, England : 2003)
|October 16, 2025
PubMed
概括
此摘要是机器生成的。

研究人员开发了一种新的电子描述器Delta2,用于预测贵重气体化合物的稳定性. 阳性Delta2值表明稳定的化合物,为未来的贵重气体化学研究提供指南.

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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

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相关实验视频

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Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
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Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry

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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
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Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

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科学领域:

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

背景情况:

  • 高贵气体化合物形成挑战了传统的化学理解.
  • 实验和理论研究积极探索贵重气体的反应性.
  • 预测贵重气体化合物稳定的现有模型是有限的.

研究的目的:

  • 建立贵重气体化合物的形成和热力学稳定性的预测标准.
  • 开发一个简单的电子描述器来评估贵重气体化合物的稳定性.
  • 为了指导未来的贵重气体化学中的实验发现.

主要方法:

  • 对192个二原子和多原子贵气复合物的系统计算研究.
  • 考普曼定理的应用来定义电子描述符Delta2.
  • 使用CCSD(T) /def2-TZVP理论水平计算解离自由能量.

主要成果:

  • 在Delta2描述符和计算的解离自由能量之间发现了强烈的相关性.
  • 阳性Delta2值预测了贵重气体化合物的热力学稳定性.
  • 适度负的Delta2值表明在特定条件下潜在的转移稳定性.
  • 描述器成功预测了ArBO+复合物的稳定性.

结论:

  • 德尔塔2描述器提供了一个简单的定量规则,用于预测贵重气体化合物的稳定性.
  • 该模型适用于高贵气体与缺电子碎片的相互作用.
  • 这项工作为推进贵重气体化学奠定了理论基础.