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Molecular orbital diagram of dinitrogen. With nitrogen, we see the two molecular orbitals mixing and the energy repulsion. This is the reasoning for the rearrangement from a more familiar diagram. The σ from the 2p is more non-bonding due to mixing, and same with the 2s σ. This also causes a large jump in energy in the 2p σ* orbital.
In chemistry, a molecular orbital (/ ɒrbədl /) is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region.
Ligand field theory (LFT) describes the bonding, orbital arrangement, and other characteristics of coordination complexes. [1][2][3][4] It represents an application of molecular orbital theory to transition metal complexes. A transition metal ion has nine valence atomic orbitals - consisting of five n d, one (n +1)s, and three (n +1)p orbitals.
The Hückel method or Hückel molecular orbital theory, proposed by Erich Hückel in 1930, is a simple method for calculating molecular orbitals as linear combinations of atomic orbitals. The theory predicts the molecular orbitals for π-electrons in π-delocalized molecules , such as ethylene , benzene , butadiene , and pyridine .
Fluorine compounds. Fluorine as straight (a) or bent (b) bridging ligands [1] Fluorine forms a great variety of chemical compounds, within which it always adopts an oxidation state of −1. With other atoms, fluorine forms either polar covalent bonds or ionic bonds. Most frequently, covalent bonds involving fluorine atoms are single bonds ...
In molecular physics, crystal field theory (CFT) describes the breaking of degeneracies of electron orbital states, usually d or f orbitals, due to a static electric field produced by a surrounding charge distribution (anion neighbors). This theory has been used to describe various spectroscopies of transition metal coordination complexes, in ...
e. 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 valence bond theory cannot explain. In molecular orbital theory, electrons in a molecule are not ...
The Greek letter φ in their name refers to f orbitals, since the orbital symmetry of the φ bond is the same as that of the usual (6-lobed) type of f orbital when seen down the bond axis. There was one possible candidate known in 2005 of a molecule with phi bonding (a U−U bond, in the molecule U 2 ). [ 1 ]