Why He2 and Be2 Molecules Do Not Exist (MO Theory)

Chemistry · Chemical Bonding · NEET

He2 and Be2 do not exist because their bond order is 0. In Molecular Orbital (MO) theory, the number of bonding electrons equals the number of antibonding electrons, so they cancel out and no real bond forms. Memory hook: "Equal push and pull means zero bond, so the atoms stay apart."
He2: bonding cancels antibonding to give Bond Order 0He (1s)He (1s)1s1sσ1s (bonding)σ*1s (antibonding)N_b = 2, N_a = 2Bond Order = ½(2-2) = 0
MO diagram of He2: the 2 bonding electrons in sigma-1s are exactly cancelled by the 2 antibonding electrons in sigma*-1s, giving bond order 0, so He2 does not exist. Be2 works the same way but with the 2s orbitals too.

Your doubts, answered

What exactly does 'bond order zero' mean, and why does it stop He2 from existing?

Bond order = (1/2)(bonding electrons - antibonding electrons). Bonding electrons hold the two atoms together. Antibonding electrons push them apart. When both numbers are equal, they fully cancel. Bond order = 0 means there is no net force holding the atoms, so the molecule cannot stay together. For He2, bond order = (1/2)(2 - 2) = 0, so He2 does not exist.

How do I fill the MO diagram for He2 step by step?

Each He atom has 2 electrons, so He2 has 4 electrons total. Fill the molecular orbitals in energy order: sigma-1s takes 2 electrons (bonding), then sigma*-1s takes 2 electrons (antibonding). So bonding electrons N_b = 2 and antibonding electrons N_a = 2. Bond order = (1/2)(2 - 2) = 0. This is why He2 has no bond.

Why does Be2 also not exist even though Be has more electrons?

Be2 has 8 electrons (4 from each Be atom). Filling order: sigma-1s (2), sigma*-1s (2), sigma-2s (2), sigma*-2s (2). Now N_b = 4 (both sigma bonding filled) and N_a = 4 (both sigma* antibonding filled). Bond order = (1/2)(4 - 4) = 0. Every bonding pair is cancelled by an antibonding pair, so Be2 does not exist as a stable molecule.

Why do antibonding electrons cancel bonding electrons?

When two atomic orbitals combine, they make two molecular orbitals: a bonding one (lower energy, stabilises) and an antibonding one (higher energy, destabilises). One electron in the antibonding MO undoes the stabilising effect of one electron in the bonding MO. So if you have the same number in each type, the net stabilisation is zero and no bond forms.

If He2 does not exist, why does He2+ exist?

He2+ has only 3 electrons: sigma-1s (2 bonding) and sigma*-1s (1 antibonding). Bond order = (1/2)(2 - 1) = 0.5. Because bond order is positive (not zero), He2+ can exist as a weak, unstable species. Removing one antibonding electron gives a small net bond. This shows the rule clearly: positive bond order = can exist, zero bond order = cannot exist.

Why does He2 not exist but H2 does?

H2 has only 2 electrons, both in the sigma-1s bonding orbital and none in the antibonding orbital. Bond order = (1/2)(2 - 0) = 1, so H2 has a strong single bond. He2 has 2 extra electrons that go into the sigma*-1s antibonding orbital, cancelling the bond. The extra antibonding electrons are the whole reason He2 fails.

⚠️ The NEET trap
He2 does not exist because helium is a noble gas with a complete octet, so it 'does not want to bond'.
He2 does not exist because its MO bond order is exactly zero: 2 bonding electrons are cancelled by 2 antibonding electrons. NEET tests the MO calculation, not the vague 'noble gas' idea.
🧠 When NEET asks 'which molecule does not exist', do the bond order maths (1/2)(N_b - N_a). If it comes to 0, that species does not exist.

Real NEET questions

NEET 2020

Identify a molecule which does not exist.

A · C2
B · O2
C · He2
D · Li2
Solution: By MO theory, He2 has 4 electrons: sigma-1s (2 bonding) and sigma*-1s (2 antibonding). Bond order = (1/2)(N_b - N_a) = (1/2)(2 - 2) = 0, so He2 does not exist. C2 (bond order 2), O2 (bond order 2) and Li2 (bond order 1) all have positive bond orders and do exist.
NEET 2019

Which of the following diatomic molecular species has only pi bonds according to Molecular Orbital Theory?

A · O2
B · N2
C · C2
D · Be2
Solution: In C2, the configuration is KK (sigma-2s)^2 (sigma*-2s)^2 (pi-2px)^2 (pi-2py)^2. The sigma-2s and sigma*-2s cancel, and no electrons sit in the sigma-2pz bonding MO, so its bond order of 2 comes entirely from two pi bonds. Note Be2 (option D) actually has bond order 0 and does not exist, so it cannot be the answer.

Solved Chemical Bonding NEET PYQs

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Frequently asked

What is the bond order of He2 and Be2?

Both have a bond order of 0. For He2: (1/2)(2 - 2) = 0. For Be2: (1/2)(4 - 4) = 0. A zero bond order means no net bond forms, so neither molecule exists.

Does Be2 exist at all?

No. As a normal stable molecule, Be2 does not exist because its bond order is zero. (Very weak Be2 species detected at extremely low temperatures in labs are outside the NEET syllabus; for NEET, treat Be2 as non-existent.)

Which species with zero bond order should I remember for NEET?

He2 and Be2 both have bond order 0 and do not exist. Also remember Ne2 has bond order 0. In contrast, He2+ has bond order 0.5 and can exist as a weak species.

What is the formula for bond order in MO theory?

Bond order = (1/2)(N_b - N_a), where N_b is the number of electrons in bonding molecular orbitals and N_a is the number in antibonding molecular orbitals. Higher bond order means a stronger, shorter bond; zero means no bond.