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Molecular orbital diagram of dioxygen. Oxygen has a similar setup to H 2, but now we consider 2s and 2p orbitals. When creating the molecular orbitals from the p orbitals, the three atomic orbitals split into three molecular orbitals, a singly degenerate σ and a doubly degenerate π orbital.
Molecular orbital diagram of two singlet excited states as well as the triplet ground state of molecular dioxygen. From left to right, the diagrams are for: 1 Δ g singlet oxygen (first excited state), 1 Σ + g singlet oxygen (second excited state), and 3 Σ − g triplet oxygen (ground state). The lowest energy 1s molecular orbitals are ...
Triplet oxygen, 3 O 2, refers to the S = 1 electronic ground state of molecular oxygen (dioxygen). Molecules of triplet oxygen contain two unpaired electrons, making triplet oxygen an unusual example of a stable and commonly encountered diradical: [2] it is more stable as a triplet than a singlet. According to molecular orbital theory, the ...
An electron configuration with two unpaired electrons, as is found in dioxygen orbitals (see the filled π* orbitals in the diagram) that are of equal energy—i.e., degenerate—is a configuration termed a spin triplet state. Hence, the ground state of the O 2 molecule is referred to as triplet oxygen.
The highest occupied orbital energy level of dioxygen is a pair of antibonding π* orbitals. In the ground state of dioxygen, this energy level is occupied by two electrons of the same spin, as shown in the molecular orbital diagram. The molecule, therefore, has two unpaired electrons and is in a triplet state.
The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.
The common allotrope of elemental oxygen on Earth, O2, is generally known as oxygen, but may be called dioxygen, diatomic oxygen, molecular oxygen, dioxidene or oxygen gas to distinguish it from the element itself and from the triatomic allotrope ozone, O3. As a major component (about 21% by volume) of Earth's atmosphere, elemental oxygen is ...
In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. The MOT explains the paramagnetic nature of O 2, which VSEPR theory cannot explain. In molecular orbital theory, electrons in a molecule are not assigned ...