[[File:B2H6MOdiagram.JPG|thumb|Molecular-orbital (MO) diagram of B<sub>2</sub>H<sub>6</sub>. Atoms and their corresponding orbitals are colored the same. Green MOs symbolize bonding, while red symbolize anti-bonding.]]
:The bonding in diborane is best described by treating each B as sp<sup>3</sup>-[[Orbital hybridisation|hybridized]]. Two sp<sup>3</sup>-hybrid orbitals on each boron form the bonds to the terminal hydrogens. The remaining sp<sup>3</sup>-orbitals create the bonds with the bridging hydrogens. Because the angles in the diborane structure are not tetrahedral the orbitals also likely contain some sp<sup>2</sup> character.
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;''closo''-{{chem|B|6|H|6|2−}}
[[File:B6H6MOdiagram.jpg|thumb|200px|MO diagram of {{chem|B|6|H|6|2−}} showing the orbitals responsible for forming the cluster. Pictorial representations of the orbitals are shown; the MO sets of T and E symmetry will each have two or one additional pictorial representation, respectively, that are not shown here.]]
