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Bonding and Antibonding Molecular Orbitalsand full you how
Molecular orbital theory is concerned with the combination of atomic orbitals to form new molecular orbitals. These new orbitals arise from the linear combination of atomic orbitals to form bonding and antibonding orbitals. The bonding orbitals are at a lower energy than the antibonding orbitals, so they are the first to fill up. By figuring out the molecular orbitals, it is easy to calculate bond order. The valence bond theory is an extension of the Lewis Structures that considers the overlapping of orbitals to create bonds. The valence bond theory is only limited in its use because it does not explain the molecular geometry of molecules very well.
On the atomic level, bond order is the number of bonded electron pairs between two atoms. In molecular orbital theory, bond order is also defined as half of the difference between the number of bonding and antibonding electrons. To calculate bond order in chemistry, subtract the number of the electrons in the antibonding molecules from the number of electrons in the bonding molecules. Divide the result by 2 to get the result. The higher the bond order, the more stable the molecule. To learn how to determine a bond order at a glance, keep reading!
Once you have drawn and labelled molecular orbitals, you fill them in the same order as you fill atomic orbitals. Every orbital in a subshell must contain only one electron before any orbital can have two electrons. All electrons in singly occupied orbitals must have the same spin. How do I fill bonding and antibonding orbitals? Ernest Z. May 29, The rules you use for filling atomic orbitals are: 1.
It always depends on the relative energy of a given atomic orbital with another atomic orbital, when it comes to where the antibonding molecular orbital MO lies. For simplicity, we assume the orbitals in question have the correct "symmetry", interact only based on energy, and are sigma interactions. In reality it is a simplification. The antibonding MO is always higher in energy than the starting atomic orbitals. The antibonding MO is always higher in energy than the higher-energy atomic orbital. The orbital is said to be more centered on the atom whose atomic orbital is closest in energy to it. If the antibonding MO contains electrons, the electrons then primarily belong to that atom.
Bonding and antibonding orbitals are illustrated in MO diagrams, and are useful for predicting the strength and existence of chemical bonds. In MO theory, molecular orbitals form by the overlap of atomic orbitals. Atomic orbital energy correlates with electronegativity, as electronegative atoms hold electrons more tightly, lowering their energies. MO modeling is only valid when the atomic orbitals have comparable energy; when the energies differ greatly, the bonding mode becomes ionic. A second condition for overlapping atomic orbitals is that they have identical symmetry. Two atomic orbitals can overlap in two ways, depending on their phase relationship.
Bonding and antibonding orbitals