4/11/2023 0 Comments Pictorial diagram![]() Molecular orbitals are best formed when composed of Atomic orbitals of like energies. ![]() Furthermore, all orbitals at an energy level must be filled with one electron before they can be paired. No more than 2 electrons can occupy 1 molecular orbital at a time. Antibonding orbitals are formed by out-of-phase combinations of atomic orbitals and decrease the electron density between atoms (see figure 2 below).įollowing both the Pauli exclusion principle and Hund's rule, electrons fill in orbitals of increasing energy.Įlectrons fill orbitals with the lowest energy first. Bonding orbitals are formed by in-phase combinations of atomic orbitals and increase the electron density between the atoms (see figure 2 below)Įlectrons in antibonding molecular orbitals cause a system to be destabilized since more energy is associated with bonded atoms than that of a system of unbound atoms. Both H atoms have a 1s orbital, so when bonded together, there are therefore two molecular orbitals.īonding molecular orbitals are lower energy than the atomic orbitals from which they were formed.Īntibonding molecular orbitals are higher energy than the atomic orbitals from which they were formed.Įlectrons in bonding molecular orbitals help stabilize a system of atoms since less energy is associated with bonded atoms as opposed to a system of unbound atoms. The molecule H 2 is composed of two H atoms. Total number of molecular orbitals is equal to the total number of atomic orbitals used to make them. The principles to apply when forming pictorial molecular orbitals from atomic orbitals are summarized in the table below: Principle Once you have the molecular orbitals and their energy ordering the ground state configuration is found by applying the Pauli principle, the aufbau principle and Hund's rule just as with atoms. Each molecular orbital can only have 2 electrons, each with an opposite spin. Similar to atomic orbitals, molecular orbitals are wave functions giving the probability of finding an electron in certain regions of a molecule. In molecules, atomic orbitals combine to form molecular orbitals which surround the molecule. The Molecular Orbital Theory allows one to predict the distribution of electrons in a molecule which in turn can help predict molecular properties such as shape, magnetism, and Bond Order. Instead, the electrons are “smeared out” across the molecule. Electrons are considered delocalized when they are not assigned to a particular atom or bond (as in the case with Lewis Structures). In the Molecular Orbital Theory, the electrons are delocalized. While the Valence Bond Theory and Lewis Structures sufficiently explain simple models, the Molecular Orbital Theory provides answers to more complex questions. In Molecular Orbital Theory, the bonding between atoms is described as a combination of their atomic orbitals. Mullikan, incorporates the wave like characteristics of electrons in describing bonding behavior. The Molecular Orbital Theory, initially developed by Robert S. ![]()
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