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Physical Chemistry

Molecular Orbital Theory

Definition and meaning of Molecular Orbital Theory in chemistry.
Molecular orbital theory is a model that explains how atoms bond together. It says that electrons in a molecule do not belong to just one atom. Instead, they move in spaces that stretch across the entire molecule.

In more detail

When atoms join to make a molecule, their atomic orbitals merge together. The merging atomic areas form entirely new spaces called molecular orbitals. Some new orbitals hold the atoms tightly together and are called bonding orbitals.

Other new orbitals push the atoms apart and are called antibonding orbitals. Sometimes orbitals do not affect the bond at all and remain nonbonding. The number of new molecular orbitals always equals the number of starting atomic orbitals.

Electrons always fill the lowest energy molecular orbitals first before moving higher. This filling order helps chemists figure out if a molecule will be stable. It also shows exactly how strong the new molecular bonds will be.

This theory fixes several mistakes found in older chemical bonding rules. For example, it explains why some molecules act like weak magnets. It also helps us understand why certain chemical reactions happen easily.

Many students mistakenly think this theory completely replaces older bonding models. In reality, chemists use different models depending on the specific problem. Understanding these orbitals is crucial for designing new drugs and advanced materials.

Key facts

Field
Physical Chemistry
Orbital types
Bonding, antibonding, nonbonding
Key advantage
Explains molecular magnetism
Source models
Atomic orbitals
Bond order formula
(bonding electrons - antibonding electrons) / 2
Example
Liquid oxygen (O2) is a famous example of this theory at work. If you pour liquid oxygen between strong magnets, it gets stuck there. This happens because oxygen molecules have two single electrons in antibonding orbitals. These single unpaired electrons make the oxygen gas act like a weak magnet. Older bonding rules wrongly predict that all oxygen electrons pair up perfectly. Those older rules incorrectly suggest oxygen should ignore magnetic fields completely. Molecular orbital theory correctly predicts and explains this unexpected magnetic behavior.

Frequently asked questions

What is a bond order?

Bond order tells you how many chemical bonds exist between a pair of atoms. You calculate it by subtracting antibonding electrons from bonding electrons and dividing by two. A higher bond order means a stronger and shorter bond.

How does this theory differ from valence bond theory?

Valence bond theory says electrons stay between two specific atoms. Molecular orbital theory says electrons spread out over the entire molecule. The molecular theory works better for explaining colors and magnetic traits.

Do atomic orbitals disappear when molecules form?

Yes, the original atomic orbitals cease to exist in the new molecule. They combine and transform into new molecular orbitals that span across multiple atoms. You can think of it like mixing two paint colors to make a totally new color.

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