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Key Concepts

Orbital Symmetry and Overlap

The symmetry of the atomic orbitals relative to the internuclear axis determines the type of molecular orbital formed. When the orbitals overlap head?to?head along the internuclear axis, the resulting orbital is classified as a sigma orbital. This is because the electron density along the axis is preserved and maximized in the bonding region.

d Orbitals in Bonding

d orbitals have various shapes and orientations which can lead to different types of bonds when combined. Depending on how they are oriented relative to the internuclear axis, they can form sigma, pi, or even delta bonds. In the case where the lobes of two d orbitals are aligned along the internuclear axis, their in?phase combination results in a sigma-type molecular orbital.

Molecular Orbital Theory

Molecular orbital theory explains how atomic orbitals combine to form molecular orbitals that are spread over two or more atoms, with energy levels that differ from the original atomic orbitals. When two orbitals combine, they do so constructively (in phase) to produce a bonding orbital or destructively (out of phase) to produce an antibonding orbital.

In-Phase Combination

An in-phase combination means that the same sign (phase) of the wave function is present in the overlapping region, leading to constructive interference. This increases the electron density between the nuclei, stabilizing the molecule by forming a bonding orbital.

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