Molekülorbitaldiagramm

Molekülorbitaldiagramm refers to a diagram that illustrates the arrangement of molecular orbitals in a molecule. These molecular orbitals are formed by the combination of atomic orbitals from the constituent atoms. When atomic orbitals combine, they can form bonding molecular orbitals, which have lower energy and are more stable, and antibonding molecular orbitals, which have higher energy and are less stable. The number of molecular orbitals formed is equal to the number of atomic orbitals that combined.

The filling of these molecular orbitals with electrons follows the Aufbau principle, Hund's rule, and the Pauli exclusion principle, similar to how electrons fill atomic orbitals. The diagram typically shows the relative energy levels of the atomic orbitals and the resulting molecular orbitals. Electrons are then placed into the lowest energy molecular orbitals first. The arrangement of electrons in these molecular orbitals helps to explain the bonding characteristics of the molecule, such as bond order and magnetic properties.

For diatomic molecules, the order of molecular orbitals can vary depending on the specific atoms involved. For lighter diatomic molecules like N2, the order is generally sigma(2s), sigma*(2s), pi(2p), sigma(2p), pi*(2p), sigma*(2p). For heavier diatomic molecules like O2 and F2, the sigma(2p) orbital is lower in energy than the pi(2p) orbitals. The molekülorbitaldiagramm is a fundamental tool in understanding chemical bonding in a more advanced and quantitative manner than simpler models like valence bond theory. It provides insights into the delocalization of electrons within a molecule.