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Application of MO theory for dihydrogen results in having both electrons in the bonding MO with electron configuration 1σ g 2. The bond order for dihydrogen is (2-0)/2 = 1. The photoelectron spectrum of dihydrogen shows a single set of multiplets between 16 and 18 eV (electron volts). [14] The dihydrogen MO diagram helps explain how a bond breaks.
According to molecular orbital theory, the electron configuration of triplet oxygen has two electrons occupying two π molecular orbitals (MOs) of equal energy (that is, degenerate MOs). In accordance with Hund's rules, they remain unpaired and spin-parallel, which accounts for the paramagnetism of molecular oxygen.
Molecular orbital theory predicts the electronic ground state denoted by the molecular term symbol 3 Σ – g, and two low-lying excited singlet states with term symbols 1 Δ g and 1 Σ + g. These three electronic states differ only in the spin and the occupancy of oxygen's two antibonding π g-orbitals, which are degenerate (equal in energy).
A molecular orbital can specify the electron configuration of a molecule: the spatial distribution and energy of one (or one pair of) electron(s). Most commonly a MO is represented as a linear combination of atomic orbitals (the LCAO-MO method), especially in qualitative or very approximate usage.
Molecular orbital theory was seen as a competitor to valence bond theory in the 1930s, before it was realized that the two methods are closely related and that when extended they become equivalent. Molecular orbital theory is used to interpret ultraviolet–visible spectroscopy (UV–VIS). Changes to the electronic structure of molecules can be ...
For example, the electron configuration of the neon atom is 1s 2 2s 2 2p 6, meaning that the 1s, 2s, and 2p subshells are occupied by two, two, and six electrons, respectively. Electronic configurations describe each electron as moving independently in an orbital, in an average field created by the nuclei and all the other
The MO diagram for dihydrogen. In the classic example of the H 2 MO, the two separate H atoms have identical atomic orbitals. When creating the molecule dihydrogen, the individual valence orbitals, 1s, either: merge in phase to get bonding orbitals, where the electron density is in between the nuclei of the atoms; or, merge out of phase to get antibonding orbitals, where the electron density ...
Here [Ne] refers to the core electrons which are the same as for the element neon (Ne), the last noble gas before phosphorus in the periodic table. The valence electrons (here 3s 2 3p 3) are written explicitly for all atoms. Electron configurations of elements beyond hassium (element 108) have never been measured; predictions are used below.