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Formal charges in ozone and the nitrate anion. In chemistry, a formal charge (F.C. or q*), in the covalent view of chemical bonding, is the hypothetical charge assigned to an atom in a molecule, assuming that electrons in all chemical bonds are shared equally between atoms, regardless of relative electronegativity.
It has uses in determining possible electron re-configuration when referring to reaction mechanisms, and often results in the same sign as the partial charge of the atom, with exceptions. In general, the formal charge of an atom can be calculated using the following formula, assuming non-standard definitions for the markup used:
The nitrate ion carries a formal charge of −1. [citation needed] This charge results from a combination formal charge in which each of the three oxygens carries a − 2 ⁄ 3 charge, [citation needed] whereas the nitrogen carries a +1 charge, all these adding up to formal charge of the polyatomic nitrate ion.
The formal charges on the right comply with electronegativities, which implies an added ionic bonding contribution. Indeed, the estimated N−N and N−O bond orders are 2.76 and 1.9, respectively, [ 7 ] approaching the formula of integer bond orders that would include the ionic contribution explicitly as a bond (in green):
There are two possible structures for hydrogen cyanide, HCN and CNH, differing only as to the position of the hydrogen atom. The structure with hydrogen attached to nitrogen, CNH, leads to formal charges of -1 on carbon and +1 on nitrogen, which would be partially compensated for by the electronegativity of nitrogen and Pauling calculated the net charges on H, N and C as -0.79, +0.75 and +0.04 ...
In contrast, formal charges and unpaired electrons on main-group elements are always explicitly shown. In the standard depiction of a molecule, the canonical form (resonance structure) with the greatest contribution is drawn. However, the skeletal formula is understood to represent the "real molecule" – that is, the weighted average of all ...
Skeletal structural formula of Vitamin B 12.Many organic molecules are too complicated to be specified by a molecular formula.. The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are possibly arranged in the real three-dimensional space.
The molecule SO 3 is trigonal planar.As predicted by VSEPR theory, its structure belongs to the D 3h point group.The sulfur atom has an oxidation state of +6 and may be assigned a formal charge value as low as 0 (if all three sulfur-oxygen bonds are assumed to be double bonds) or as high as +2 (if the Octet Rule is assumed). [7]