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Related Concept Videos

Hydrogen Bonds01:04

Hydrogen Bonds

12.8K
A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
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Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....
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The Aufbau Principle and Hund's Rule03:02

The Aufbau Principle and Hund's Rule

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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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Atomic Orbitals02:44

Atomic Orbitals

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An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.
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Molecular Orbital Theory II03:51

Molecular Orbital Theory II

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Molecular Orbital Energy Diagrams
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Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

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Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
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Quantification of Hydrogen Concentrations in Surface and Interface Layers and Bulk Materials through Depth Profiling with Nuclear Reaction Analysis
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A first-principles study on hydrogen distributions in the α-U/UO2 interface.

Xin-Xin Wang1, Zi Li1, Bingyun Ao2

  • 1LCP, Institute of Applied Physics and Computational Mathematics, Beijing 100094, People's Republic of China.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|January 16, 2020
PubMed
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Hydrogen atoms preferentially assemble at the alpha-uranium/uranium dioxide interface, forming new U-H bonds. Further hydrogen incorporation favors distribution within alpha-uranium.

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Area of Science:

  • Materials Science
  • Surface Science
  • Computational Chemistry

Background:

  • Understanding hydrogen behavior at interfaces is crucial for materials science.
  • The alpha-uranium/uranium dioxide interface is relevant in nuclear materials.
  • Predicting hydrogen distribution impacts material stability and performance.

Purpose of the Study:

  • To investigate the preferred distribution site of hydrogen at the alpha-uranium/uranium dioxide interface.
  • To elucidate the bonding mechanisms driving hydrogen segregation.
  • To determine the energetic favorability of hydrogen incorporation into bulk phases versus the interface.

Main Methods:

  • Density Functional Theory plus Hubbard U (DFT+U) method was employed.
  • Electronic structure analysis was performed to understand bonding.
  • Energetic calculations were used to assess incorporation preferences.

Main Results:

  • A monolayer of hydrogen atoms initially assembles at the alpha-uranium/uranium dioxide interface.
  • The formation of uranium-hydrogen (U-H) bonds on the uranium dioxide side drives this interfacial assembly.
  • These U-H bonds exhibit similarities to U-O-U superexchange interactions.
  • Incorporating hydrogen into bulk alpha-uranium or uranium dioxide is energetically unfavorable compared to interfacial assembly.
  • Subsequent hydrogen atoms tend to distribute within the alpha-uranium phase after two monolayers form at the interface.

Conclusions:

  • Hydrogen atoms exhibit a strong preference for the alpha-uranium/uranium dioxide interface.
  • The electronic structure and bonding characteristics dictate hydrogen's preferred location.
  • Hydrogen's distribution behavior suggests implications for interfacial properties and material degradation.