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Chemical Bonding with or without Tunneling.

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Summary
This summary is machine-generated.

Quantum mechanical electron tunneling mediates four chemical bond types, including covalent and ionic bonds, storing significant cohesive energy. Other bonds, like metallic and van der Waals, do not involve tunneling and have lower cohesive energy.

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Area of Science:

  • Solid-state physics
  • Quantum chemistry
  • Materials science

Background:

  • Chemical bonds are fundamental to material properties.
  • The role of quantum mechanical electron tunneling in chemical bonding is not fully understood.
  • Differentiating tunneling-mediated bonds from non-tunneling bonds is crucial for predicting material behavior.

Purpose of the Study:

  • To determine which chemical bond types are mediated by quantum mechanical electron tunneling.
  • To investigate the relationship between tunneling, Coulombic energy storage, and cohesive energy.
  • To analyze the specific bonding mechanism in tungsten (W).

Main Methods:

  • Solid-state tunneling analysis was employed.
  • Comparison of cohesive energies for different bond types.
  • Analysis of Coulombic energy storage dynamics (dynamic, static, quasi-static).

Main Results:

  • Four bond types involve tunneling: covalent, ionic, polar covalent, and transition metal bonding.
  • Two bond types do not involve tunneling: free electron metal and van der Waals bonding.
  • Tunneling-mediated bonds exhibit larger cohesive energy due to tunneling-induced Coulombic energy storage.
  • Tungsten (W) bonding involves a unique two-electron d-d tunneling process.
  • Hydrogen bonds are also mediated by tunneling but have variable cohesive energy.

Conclusions:

  • Quantum mechanical electron tunneling plays a significant role in various direct chemical bonds.
  • The presence or absence of tunneling directly impacts cohesive energy and material stability.
  • Specific bonding mechanisms, like that in tungsten, can be elucidated through tunneling analysis.