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Bond order calculator

Find molecular orbital bond order, bonding electrons or antibonding electrons with half-integer bond orders supported.

Calculator

Bond order
2.000000
Bonding electrons
10
Antibonding electrons
6
Interpretation
Net bonding in this simple MO model

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How this calculator works

Molecular orbital theory separates electrons that strengthen a bond from electrons that weaken it. Each net pair adds one to bond order, so an odd net electron count gives a half-integer. Supply orbital occupancies rather than all electrons indiscriminately. A positive value alone does not prove chemical stability, and this tool does not infer orbital filling or magnetism.

Formula

Bond order = (bonding electrons - antibonding electrons) / 2.

Worked example

For O2, 10 bonding and 6 antibonding electrons give bond order 2. If there are 8 bonding electrons and bond order 3, there must be 2 antibonding electrons.

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Frequently asked questions

Can bond order be 1.5?

Yes. One net unpaired bonding electron adds one half.

Does zero bond order predict a bond?

This simple model predicts no net stabilizing bond at zero.

Do nonbonding electrons count?

No. Include only the bonding and antibonding orbitals for the interaction being assessed.

Sources

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