molecular orbital theory

what are molecular orbitals

they describe the way in which multiple electrons can move around more than one nucleus

how are the molecular orbitals generated

linear combination of atomic orbitals (LCAO) method

atomic orbitals interact with each other to form MOs in a way that can be thought of as constructive and destructive interference

how many MOs are generated

number of AOs at start = number of MOs at end

what are the combinations of atomic orbitals and what MOs do they form

x + y linear combination forms the bonding MO (σ/π) at lower energy than the AOs

x - y linear combination forms the antibonding MO (σ*/π*) at higher energy than the AOs

p_x orbital

p_y orbital

p_z orbital

s + s constructive

s + s destructive

s + p_z constructive

s + p_z destructive

p_x + p_x constructive

p_x + p_x destructive

p_y + p_y constructive

p_y + p_y destructive

p_z + p_z constructive

p_z + p_z destructive

how to calculate bond order

(bonding electrons - antibonding electrons)/2