698 tools
All

Bond Order Calculator

Calculate molecular-orbital bond order from bonding and antibonding electron counts.

 

 

Bond order

About this calculator

Use this calculator with MO diagrams in general or inorganic chemistry when you have counted the electrons and need the bond order to say single, double, or whether the molecule should exist.

Bond order = (bonding − antibonding) / 2. A result of 1 is a single bond, 2 a double, 3 a triple, and 0 means no net bond. This is the simple MO electron-count definition; it does not use computational bond orders.

Bonding electrons: Electrons in bonding MOs. For N₂ that is typically 8.

Antibonding electrons: Electrons in antibonding MOs. For N₂ that is typically 2.

Bond order: Net MO bond order.