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A molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the linear combination of atomic orbitals (LCAO) method in particular. [1][2][3] A fundamental principle of these theories is that as atoms bond to form molecules, a certain number of atomic orbitals combine to form the same ...
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.
Lewis structures extend the concept of the electron dot diagram by adding lines between atoms to represent shared pairs in a chemical bond. Lewis structures show each atom and its position in the structure of the molecule using its chemical symbol.
Molecular orbital theory revolutionized the study of chemical bonding by approximating the states of bonded electrons—the molecular orbitals—as linear combinations of atomic orbitals (LCAO). These approximations are made by applying the density functional theory (DFT) or Hartree–Fock (HF) models to the Schrödinger equation.
In quantum mechanics, an atomic orbital (/ ˈɔːrbɪtəl /) is a function describing the location and wave-like behavior of an electron in an atom. [ 1 ] This function describes an electron's charge distribution around the atom's nucleus, and can be used to calculate the probability of finding an electron in a specific region around the nucleus.
A chemical bond is the association of atoms or ions to form molecules, crystals, and other structures. The bond may result from the electrostatic force between oppositely charged ions as in ionic bonds or through the sharing of electrons as in covalent bonds, or some combination of these effects. Chemical bonds are described as having different strengths: there are "strong bonds" or "primary ...
Different compounds that obey the octet rule (sp-elements) and hydrogen can be placed on the triangle. Unfortunately, d-elements cannot be analysed using van Arkel-Ketelaar triangle, as their electronegativity is so high that it is taken as a constant. Using electronegativity - two compound average electronegativity on x-axis and electronegativity difference on y-axis, we can rate the dominant ...
The remaining two unhybridized orbitals lie along the tangent of the sphere like structure creating more bonding and antibonding orbitals between the boron vertices. [9] The orbital diagram breaks down as follows: 6 bonding MOs and 6 antibonding MOs from the 12 tangential p-orbitals. The total skeletal bonding orbitals is therefore 7, i.e. n + 1.