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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 .
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. In contrast, the first and second excited states of dioxygen are both states of singlet oxygen. Each has two electrons of ...
As in diboron, these two unpaired electrons have the same spin in the ground state, which is a paramagnetic diradical triplet oxygen. The first excited state has both HOMO electrons paired in one orbital with opposite spins, and is known as singlet oxygen. MO diagram of dioxygen triplet ground state
Singlet oxygen is the common name used for the two metastable states of molecular oxygen (O 2) with higher energy than the ground state triplet oxygen. Because of the differences in their electron shells, singlet oxygen has different chemical and physical properties than triplet oxygen, including absorbing and emitting light at different ...
The energy difference of 94.3 kJ/mol between ground state and singlet oxygen corresponds to a forbidden singlet-triplet transition in the near-infrared at ~1270 nm. [12] As a consequence, singlet oxygen in the gas phase is relatively long lived (54-86 milliseconds), [ 13 ] although interaction with solvents reduces the lifetime to microseconds ...
Examples of atoms in singlet, doublet, and triplet states. In quantum mechanics, a triplet state, or spin triplet, is the quantum state of an object such as an electron, atom, or molecule, having a quantum spin S = 1. It has three allowed values of the spin's projection along a given axis m S = −1, 0, or +1, giving the name "triplet".
A water model is defined by its geometry, together with other parameters such as the atomic charges and Lennard-Jones parameters. In computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent.
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.