Understanding how to calculate the formal charge in a molecule is key for predicting the stability and reactivity of molecules. The formal charge is a hypothetical charge you would assign to an atom in a molecule, assuming that electrons in all chemical bonds are shared equally between atoms, despite differences in electronegativity.
The formula for formal charge (FC) is given by: \( FC = V - (NB + \frac{1}{2} BE) \), where:
- \( V \) is the number of valence electrons in the free (unbonded) atom,
- \( NB \) is the number of non-bonding electrons (electrons not involved in forming bonds),
- \( BE \) is the number of bonding electrons, divided equally between the bonded atoms.
It's crucial to remember that for a molecule to be stable, the sum of formal charges should equal the overall charge of the molecule. Hence, when you work out formal charge for each atom in a structure, it can help identify the most favorable resonance structure, because generally, the structure with the smallest magnitude of formal charges is preferred.
When multiple valid resonance structures exist, as in the case of the \( PO_3F^{2-} \) ion, it is often helpful to draw these different structures to visualise how the formal charge can be distributed differently across the molecule.