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Concept
Bonding molecular orbital
Summary
In theoretical chemistry, the bonding orbital is used in molecular orbital (MO) theory to describe the attractive interactions between the atomic orbitals of two or more atoms in a molecule. In MO theory, electrons are portrayed to move in waves. When more than one of these waves come close together, the in-phase combination of these waves produces an interaction that leads to a species that is greatly stabilized. The result of the waves’ constructive interference causes the density of the electrons to be found within the binding region, creating a stable bond between the two species.
In the classic example of the H2 MO, the two separate H atoms have identical atomic orbitals. When creating the molecule dihydrogen, the individual valence orbitals, 1s, either: merge in phase to get bonding orbitals, where the electron density is in between the nuclei of the atoms; or, merge out of phase to get antibonding orbitals, where the electron density is everywhere around the atom except for the space between the nuclei of the two atoms. Bonding orbitals lead to a more stable species than when the two hydrogens are monatomic. Antibonding orbitals are less stable because, with very little to no electron density in the middle, the two nuclei (holding the same charge) repulse each other. Therefore, it would require more energy to hold the two atoms together through the antibonding orbital. Each electron in the valence 1s shell of hydrogen come together to fill in the stabilizing bonding orbital. So, hydrogen prefers to exist as a diatomic, and not monatomic, molecule.
When looking at helium, the atom holds two electrons in each valence 1s shell. When the two atomic orbitals come together, they first fill in the bonding orbital with two electrons, but unlike hydrogen, it has two electrons left, which must then go to the antibonding orbital. The instability of the antibonding orbital cancels out the stabilizing effect provided by the bonding orbital; therefore, dihelium's bond order is 0. This is why helium would prefer to be monatomic over diatomic.
Official source
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