Molecular Orbital Theory and s–p Mixing

This set of flashcards covers key concepts related to Molecular Orbital Theory, particularly focusing on valence electrons, s-p mixing, and molecular orbital diagrams.

Valence Electrons

Electrons in the outermost shell that are involved in chemical bonding.

s–p Mixing

Occurs when the energy gap between s and p orbitals is small, affecting the energy levels of molecular orbitals.

Aufbau Principle

The rule that electrons are filled into orbitals from lowest to highest energy levels.

Hund's Rule

The principle stating that electrons must fill degenerate orbitals singly before pairing.

Bond Order (BO)

A measure of the number of chemical bonds between a pair of atoms, calculated as the difference between bonding and antibonding electrons.

Molecular Orbital Diagram

A graphical representation showing the energy levels of molecular orbitals derived from atomic orbitals.

Strong s–p Mixing

Significant overlap resulting in a reversal of the order of σ(2p) and π(2p) molecular orbitals.

Moderate s–p Mixing

Intermediate behavior where π and σ molecular orbitals maintain their order with some influence from mixing.

Negligible s–p Mixing

Little to no mixing occurs in heavier elements, retaining the normal order of molecular orbitals.

Molecular Configuration

The arrangement of electrons in the molecular orbitals of a molecule.