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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:
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. Due to the difference in electronegativity the N-H bond would 17% ionic character and therefore a charge of 0.166 on each of the 18 hydrogen atoms.
For typical ionic solids, the cations are smaller than the anions, and each cation is surrounded by coordinated anions which form a polyhedron.The sum of the ionic radii determines the cation-anion distance, while the cation-anion radius ratio + / (or /) determines the coordination number (C.N.) of the cation, as well as the shape of the coordinated polyhedron of anions.
As such, this ratio is a measure of the charge density at the surface of the ion; usually the denser the charge, the stronger the bond formed by the ion with ions of opposite charge. [2] The ionic potential gives an indication of how strongly, or weakly, the ion will be electrostatically attracted by ions of opposite charge; and to what extent ...
As an example, summing bond orders in the ammonium cation yields −4 at the nitrogen of formal charge +1, with the two numbers adding to the oxidation state of −3: The sum of oxidation states in the ion equals its charge (as it equals zero for a neutral molecule). Also in anions, the formal (ionic) charges have to be considered when nonzero.
In condensed matter physics and inorganic chemistry, the cation-anion radius ratio can be used to predict the crystal structure of an ionic compound based on the relative size of its atoms. It is defined as the ratio of the ionic radius of the positively charged cation to the ionic radius of the negatively charged anion in a cation-anion ...
Crystal structure prediction (CSP) is the calculation of the crystal structures of solids from first principles. Reliable methods of predicting the crystal structure of a compound, based only on its composition, has been a goal of the physical sciences since the 1950s. [ 1 ]
and P A is the ionic permeability, defined here as = The electric current density J A equals the charge q A of the ion multiplied by the flux j A = Current density has units of (Amperes/m 2). Molar flux has units of (mol/(s m 2)). Thus, to get current density from molar flux one needs to multiply by Faraday's constant F (Coulombs/mol).