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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

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 subshell of...
Electron Behavior00:54

Electron Behavior

Electrons are negatively charged subatomic particles that are attracted to an orbit around the positively-charged nucleus of an atom. They reside in locations that are associated with energy levels called shells and are further organized into sub-shells and orbitals within each shell.Electrons Orbit the NucleusElectrons are found in specific locations outside of the nucleus. The shell in which an electron resides indicates the general energy level of the electron: those closer to the nucleus...
Electron Behavior01:09

Electron Behavior

Electrons are negatively charged subatomic particles attracted to and orbit around the positively-charged nucleus of an atom. They reside in spaces associated with energy levels called shells and are further organized into subshells and orbitals within each shell.
Electrons Orbit the Nucleus
Electrons are found in specific locations outside of the nucleus. The shell in which an electron resides indicates the general energy level of the electron: those closer to the nucleus have less energy,...
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra. Schrödinger...
Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

Lewis Structures of Molecular Compounds and Polyatomic Ions

To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
Electron Configurations02:46

Electron Configurations

Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p, 4s,...

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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水的电子占据了一个空洞吗?

Ross E Larsen1, William J Glover, Benjamin J Schwartz

  • 1Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA 90095-1569, USA. Ross.Larsen@nrel.gov

Science (New York, N.Y.)
|July 3, 2010
PubMed
概括
此摘要是机器生成的。

长期以来被认为存在于水腔中的水合电子,实际上存在于水密度增加的区域. 这一发现挑战了几十年的研究,并重新定义了电子与水的相互作用.

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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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科学领域:

  • 物理化学 物理化学
  • 计算化学计算化学
  • 量子力学就是量子力学.

背景情况:

  • 水合电子是水化学中的一个基本物种.
  • 之前的模型提出,水合电子位于液态水中的半球体腔内.
  • 这种空洞模型已经引导人们对其属性的理解超过40年了.

研究的目的:

  • 用先进的计算方法研究水合电子的结构和动态.
  • 通过新的理论见解,挑战已有的空洞模型.
  • 为了准确模拟电子与水的相互作用,包括以前遗漏的特征.

主要方法:

  • 模拟了水合电子的电子结构和动态.
  • 采用严格推导的伪潜力来建模电子与水的相互作用.
  • 在伪潜力中包含有吸引力的氧气和排斥性的气特征,改进了以前的模型.

主要成果:

  • 发现水合电子占据了水密度增强的区域,直径约为1纳米,而不是空腔.
  • 计算的地面状态吸收光谱与实验数据密切匹配.
  • 在光刺激后模拟的兴奋状态光谱动态与实验观测结果有很好的一致性.

结论:

  • 对于水合电子的既定空腔模型是不准确的.
  • 新模型,电子在增强密度区域,准确预测光谱属性.
  • 放松途径涉及快速的内部转换,其次是缓慢的基态冷却,与空腔模型预测形成鲜明对比.