How to calculate formal charge

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How to calculate formal charge

ot all atoms within a neutral molecule need be neutral. An atom can have the following charges: positive, negative, or neutral, depending on the electron distribution. This is often useful for understanding or predicting reactivity. Identifying formal charges helps you keep track of the electrons.

The formal charge is the charge on the atom in the molecule. The term “formal” means that this charge is not necessarily on the presented atom because in some cases, it is also prevalent on other atoms present in the molecule. It is actually spread out through the other atoms and is not only on the one atom. Identifying a formal charge involves:

The formal charge on an atom can be calculated using the following mathematical equation.

 

formal-charge

 

Lewis structures also show how atoms in the molecule are bonded. They can be drawn as lines (bonds) or dots (electrons). One line corresponds to two electrons. The nonbonding electrons, on the other hand, are the unshared electrons and these are shown as dots. One dot is equal to one nonbonding electron. The valence electrons are the electrons in the outermost shell of the atom.


formal-charge-2

Examples:

CH4, methane

CH4-Methane
A number of bonding electrons: 2 for H, 8 for C

A number of non-bonding electrons: 0 for both H and C

[Formal charge]H = 1 – (1/2) × 2 – 0 = 0 ⇒ This applies to each hydrogen. These hydrogens are all zero.

[Formal charge]C = 4 – (1/2) × 8 – 0 = 0

⇒ This molecule is neutral.

 

CH3+, methyl cation

CH3-Methyl-cation
A number of bonding electrons: 2 for H, 6 for C

A number of non-bonding electrons: 0 for both H and C

[Formal charge]H = 1 – (1/2) × 2 – 0 = 0 ⇒ This applies to each hydrogen. These hydrogens are all zero.
[Formal charge]C = 4 – (1/2) × 6 – 0 = 4 – 3 – 0 = +1

⇒ This is a cation.

 

CH3, methyl cation

CH-3-methyl-cation
A number of bonding electrons: 2 for H, 6 for C

A number of non-bonding electrons: 0 for H, 2 for C

[Formal charge]H = 1 – (1/2) × 2 – 0 = 0 ⇒ This applies to each hydrogen. These hydrogens are all zero.

[Formal charge]C = 4 – (1/2) × 6 – 2 = 4 – 3 – 2 = -1

⇒ This is a anion.

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