Electronic properties
The valence bond representation of the XeF2 molecule may be expressed as the resonance hybrid of the two structures:
F − Xe+ − F− ↔ F − Xe+ − F−which means that the Xe−F bonds have a half-ionic and half-covalent character.
The electronic configuration of XeF2 in the ground electronic state is given in the following:
(8σg)2 (5σu)2 (9σg)2 (6σu)2 (4πu)4 (3πg)4 (10σg)2 (5πu)4 (7σu)0.The lowest vacant orbital, 7σu, which has an antibonding character consists mainly of 5pz atomic orbitals (AO's) in Xe with a small contribution of 2s and 2pz AO's in two F atoms. The highest occupied valence orbitals, 5πuu, also have an antibonding character and consist of 5px, y AO's in Xe and 2px, y in two F atoms. The antibonding 10σg orbital consists of 5s in Xe, and 2s and 2pz orbitals in two F atoms. The 3πg and 4πu consist of 2px, y in two F atoms and they are solely assigned as orbitals for lone-pair electrons of F atoms.
