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In inorganic chemistry, Fajans' rules, formulated by Kazimierz Fajans in 1923, [1] [2] [3] are used to predict whether a chemical bond will be covalent or ionic, and depend on the charge on the cation and the relative sizes of the cation and anion. They can be summarized in the following table:
Partial atomic charges can be used to quantify the degree of ionic versus covalent bonding of any compound across the periodic table. The necessity for such quantities arises, for example, in molecular simulations to compute bulk and surface properties in agreement with experiment.
Ionic bonding is a type of electrostatic interaction between atoms that have a large electronegativity difference. There is no precise value that distinguishes ionic from covalent bonding, but an electronegativity difference of over 1.7 is likely to be ionic while a difference of less than 1.7 is likely to be covalent. [21]
Ionic materials are often described by a sum of a short-range repulsive term, such as the Buckingham pair potential, and a long-range Coulomb potential giving the ionic interactions between the ions forming the material. The short-range term for ionic materials can also be of many-body character . [23]
Covalent and ionic bonding form a continuum, with ionic character increasing with increasing difference in the electronegativity of the participating atoms. Covalent bonding corresponds to sharing of a pair of electrons between two atoms of essentially equal electronegativity (for example, C–C and C–H bonds in aliphatic hydrocarbons).
Bonds with partially ionic and partially covalent characters are called polar covalent bonds. [2] Ionic compounds conduct electricity when molten or in solution, typically not when solid. Ionic compounds generally have a high melting point, depending on the charge of the ions they consist of. The higher the charges the stronger the cohesive ...
The classical model identifies three main types of chemical bonds — ionic, covalent, and metallic — distinguished by the degree of charge separation between participating atoms. [3] The characteristics of the bond formed can be predicted by the properties of constituent atoms, namely electronegativity.
On the other hand, a covalent linkage would lead to a charge of -3 on the metal and +1 on each of the nitrogen atoms in the ammonia molecules. Using the electroneutrality principle the assumption is made that the Co-N bond will have 50% ionic character thus resulting in a zero charge on the cobalt atom.