Bonding and antibonding molecular orbitals

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SUMMARY

The discussion centers on the formation of bonding and antibonding molecular orbitals through the Linear Combination of Atomic Orbitals (LCAO) method. Bonding orbitals, represented by the wave function ψ+, result from constructive interference of atomic orbitals, increasing electron density between nuclei and enhancing molecular stability. In contrast, antibonding orbitals, represented by ψ-, arise from destructive interference, creating a node between the nuclei that reduces stability. The key takeaway is that bonding orbitals increase stability by concentrating electron density between atoms, while antibonding orbitals do not contribute to molecular cohesion.

PREREQUISITES
  • Understanding of molecular orbital theory
  • Familiarity with the Linear Combination of Atomic Orbitals (LCAO) method
  • Basic knowledge of wave functions in quantum mechanics
  • Concept of constructive and destructive interference
NEXT STEPS
  • Study the mathematical formulation of the Linear Combination of Atomic Orbitals (LCAO)
  • Explore the implications of molecular orbital theory on chemical bonding
  • Investigate the role of electron density in molecular stability
  • Learn about the applications of molecular orbitals in spectroscopy and reactivity
USEFUL FOR

Chemistry students, molecular physicists, and anyone interested in understanding the principles of molecular bonding and stability through quantum mechanics.

henry3369
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Not a homework question, just curious. My book says that bonding orbitals from from constructive interference while antibonding orbitals from destructive interference. Since constructive interference increases amplitude, what increases in amplitude from the combination of bonding orbitals? It can't be energy because bonding orbitals are lower in energy.
 
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Stability? What actually happens is that the bonding orbitals formed by constructive interference is formed between the nuclei of the reacting atoms/molecules.. so they hold the molecule together increasing stability! whereas antibonding is away from both nuclei, hence not helping in holding the molecule together!
 
henry3369 said:
Since constructive interference increases amplitude, what increases in amplitude from the combination of bonding orbitals?
The wave function.

The statement stems from building molecular orbitals (MO) by the Linear Combination of Atomic Orbitals (LCAO) method, where you would take an orbital (##\phi##) on each atom and make a linear combination to build the MO (##\psi##). For two atoms A and B, you get
$$
\begin{align}
\psi_+ &= \frac{1}{\sqrt{2}} \left( \phi_A +\phi_B \right) \\
\psi_- &= \frac{1}{\sqrt{2}} \left( \phi_A - \phi_B \right)
\end{align}
$$
In the case of ##\psi_+## you get "constructive interference," as the two atomic orbitals ##\phi## add up, and "destructive interference" for ##\psi_-##. As the atomic orbitals are centered on different atoms, this interference takes place in between the atoms, such that the electron density is increased (##\psi_+##) or decreased and has a node (##\psi_-##) between the nuclei, leading to a reduction or an increase in the nuclear Coulomb repulsion, respectively.
 

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