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Valence Bond Theory02:42

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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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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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Crystal Field Theory
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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According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
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基于异质电荷合效应的总体策略,用于构建单原子站点.

Cheng Peng1, Mingyue Wang1, Sha Li2

  • 1Institute of Clean Energy and Advanced Nanocatalysis (iClean), School of Chemistry and Chemical Engineering, Anhui University of Technology, Ma'anshan, Anhui, 243032, P. R. China.

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概括

一个新的合成策略使得在和硫合的多孔碳上可扩展生产金属单原子催化剂 (M SASs). Fe1/NSC催化剂在电催化酸盐降解为氨和酸电池中显示出高效率.

关键词:
电催化酸盐还原方法 电催化酸盐还原方法总的综合总的综合不同电荷的合效应.精确的准备准备.单原子催化剂是一种单原子催化剂.

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科学领域:

  • 材料科学 材料科学 材料科学
  • 催化剂是一种催化剂.
  • 电化学 电化学 电化学

背景情况:

  • 单原子催化剂 (SACs) 由于明确的金属单原子位点 (M SASs) 提供了卓越的性能.
  • 理性设计和精确合成MSAS仍然是材料科学中的重大挑战.
  • 现有的方法经常在工业应用的可扩展性和成本效益方面扎.

研究的目的:

  • 为M SASs开发一种新的,多功能和可扩展的合成策略.
  • 调查这些MSAS用于电催化酸盐减少的催化性能.
  • 评估M SAS在储能应用中的潜力,特别是酸电池中的潜力.

主要方法:

  • 基于异质电荷合效应 (HCCE) 的策略被用于催化剂合成.
  • 该策略被应用于制备 17 种类型的 M SAS 在 N 和 S 联合合的多孔碳 (M1/NSC) 上.
  • 系统评估了电催化酸盐降解和酸电池性能.

主要成果:

  • 该HCCE战略证明了各种金属M1/NSC催化剂的广泛适用性和可调性.
  • 该方法允许低成本,高产量合成,一次批量生产超过50g的催化剂.
  • Fe1/NSC表现出优异的电催化酸盐降解到NH3 (86.6%法拉代克效率,1.50 mg h-1 mgcat.-1 产率在 -0.6 V).
  • 作为酸电池中的阴极,Fe1/NSC显示出高开通电路电压 (1.756 V) 和能量密度 (4.42 mW cm-2),稳定性良好.

结论:

  • 该HCCE战略为合成M SASs提供了一种通用和灵活的方法.
  • 开发的M1/NSC催化剂,特别是Fe1/NSC,对可持续的氨生产和能源储存有很大的前景.
  • 这种可扩展的合成方法对于单原子催化剂的实用,大规模应用至关重要.