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Advanced Topic 181 of 1102 Bonding & Molecular Structure

Heteronuclear Diatomic MOs

In molecules like CO, orbital energies are unequal so bonding orbitals resemble the more electronegative atom.

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In-depth explanation of Heteronuclear Diatomic MOs

In heteronuclear diatomic molecules the two atoms have different electronegativities, so their atomic orbitals differ in energy. The bonding molecular orbitals lie closer in energy to the orbitals of the more electronegative atom and therefore resemble them more closely. Antibonding orbitals resemble the orbitals of the less electronegative atom. Electron density is thus drawn toward the more electronegative atom, which represents bond polarity within MO theory. The orbital ordering can also differ from that of homonuclear molecules because of these energy differences.

Going deeper: Heteronuclear Diatomic MOs

Key ideas: Key steps: the more electronegative atom has lower-energy atomic orbitals, so the bonding MO is mostly that atom and the antibonding MO is mostly the other. Use the same count rules as for homonuclear. Examples: CO and CN- and NO+ are isoelectronic with N2 with bond order 3, and NO has 11 electrons, with its odd electron in a pi star orbital (bond order 2.5).

Common mistakes and connections: A typical mistake is placing atomic energy levels at equal height for CO or NO, or using the O2 ordering for CO. Also forgetting that the HOMO of CO is a sigma orbital with lone pair character on carbon, which explains the way CO bonds to metals through carbon. Links to bond polarity, metal carbonyls and radicals.

Visualization of Heteronuclear Diatomic MOs

In CO the oxygen orbitals lie lower than carbon orbitals, so bonding MOs resemble oxygen and antibonding MOs resemble carbon. The interactive lesson shows this as a live animation or chart.

Worked example and use case

Carbon monoxide is isoelectronic with N2 and has a bond order of 3, but its bonding orbitals are polarized toward oxygen.

Frequently asked questions about Heteronuclear Diatomic MOs

What is Heteronuclear Diatomic MOs?

In molecules like CO, orbital energies are unequal so bonding orbitals resemble the more electronegative atom.

Is Heteronuclear Diatomic MOs a beginner, intermediate or advanced topic?

Heteronuclear Diatomic MOs is a advanced topic in Bonding & Molecular Structure. It builds on beginner and intermediate topics, so review those first if needed.

What should I learn before Heteronuclear Diatomic MOs?

Study these earlier topics in Bonding & Molecular Structure first: Paramagnetism of Oxygen, Diamagnetism, Paramagnetism.

What comes after Heteronuclear Diatomic MOs?

The next topics in Bonding & Molecular Structure are Delocalization and Benzene Bonding.

Can I practise Heteronuclear Diatomic MOs with quizzes?

Yes. The interactive lesson includes a self-check question on Heteronuclear Diatomic MOs, and the Bonding & Molecular Structure quiz draws on every topic in this area.

Where Heteronuclear Diatomic MOs fits in Bonding & Molecular Structure

Heteronuclear Diatomic MOs is topic 66 of 104 in Bonding & Molecular Structure.

Related topics

Browse all 104 topics in Bonding & Molecular Structure