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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: = where: is the ...
The neutral counting method assumes each OH bond is split equally (each atom gets one electron from the bond). Thus both hydrogen atoms have an electron count of one. The oxygen atom has 6 valence electrons. The total electron count is 8, which agrees with the octet rule.
Further, since within each atom, the negatively charged valence shell is linked to the positively charged core by an electrostatic flux that is equal to the charge on the valence shell, it follows that the bond valence is also equal to the electrostatic flux that links the core to the electrons forming the bond. The bond valence is thus equal ...
Each atom is simulated as one particle; Each particle is assigned a radius (typically the van der Waals radius), polarizability, and a constant net charge (generally derived from quantum calculations and/or experiment) Bonded interactions are treated as springs with an equilibrium distance equal to the experimental or calculated bond length
The Mulliken population assigns an electronic charge to a given atom A, known as the gross atom population: as the sum of over all orbitals belonging to atom A. The charge, , is then defined as the difference between the number of electrons on the isolated free atom, which is the atomic number , and the gross atom population:
The rms charge radius is a measure of the size of an atomic nucleus, particularly the proton distribution. The proton radius is about one femtometre = 10 −15 metre. It can be measured by the scattering of electrons by the nucleus. Relative changes in the mean squared nuclear charge distribution can be precisely measured with atomic spectroscopy.
Atomic numbers (Z) are a special case of charge numbers, referring to the charge number of an atomic nucleus, as opposed to the net charge of an atom or ion. The charge numbers for ions (and also subatomic particles ) are written in superscript, e.g., Na + is a sodium ion with charge number positive one (an electric charge of one elementary ...