Molecular Orbital Calculator
Explore molecular orbital theory for homonuclear diatomic molecules. Calculate bond order and predict magnetic properties.
O2
MO Energy Diagram
Ο*2p2 e-
β
β
Ο2p4 e-
ββ
ββ
Ο2p2 e-
ββ
Ο*2s2 e-
ββ
Ο2s2 e-
ββ
Ο*1s2 e-
ββ
Ο1s2 e-
ββ
Bonding e-
10
Antibonding e-
6
Bond Order
2
Unpaired e-
2
Stability
Stable
Magnetism
Paramagnetic
Bond Order = (Bonding - Antibonding) / 2 = (10 - 6) / 2 = 2
Molecular Orbital Theory
- Atomic orbitals combine to form molecular orbitals (LCAO)
- Bond Order = (bonding electrons - antibonding electrons) / 2
- Bond Order > 0 means the molecule is stable
- Unpaired electrons make molecules paramagnetic