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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.
The Dewar–Chatt–Duncanson model is a model in organometallic chemistry that explains the chemical bonding in transition metal alkene complexes. The model is named after Michael J. S. Dewar , [ 1 ] Joseph Chatt and L. A. Duncanson .
The term is commonly applied in the field of inorganic chemistry, where diverse structures are observed. The coordination geometry depends on the number, not the type, of ligands bonded to the metal centre as well as their locations. The number of atoms bonded is the coordination number.
Walsh Diagram of an HAH molecule. Walsh diagrams, often called angular coordinate diagrams or correlation diagrams, are representations of calculated orbital binding energies of a molecule versus a distortion coordinate (bond angles), used for making quick predictions about the geometries of small molecules.
Structure of iodine heptafluoride, an example of a molecule with the pentagonal-bipyramidal coordination geometry. In chemistry, a pentagonal bipyramid is a molecular geometry with one atom at the centre with seven ligands at the corners of a pentagonal bipyramid. A perfect pentagonal bipyramid belongs to the molecular point group D 5h.
In chemistry, ligand close packing theory (LCP theory), sometimes called the ligand close packing model describes how ligand – ligand repulsions affect the geometry around a central atom. [1] It has been developed by R. J. Gillespie and others from 1997 onwards [ 2 ] and is said to sit alongside VSEPR [ 1 ] which was originally developed by R ...
Complexes of borohydride are described as using the three-center two-electron bonding model. Mo(PCy 3) 2 (CO) 3, featuring an agostic interaction. The nature of the interaction was foreshadowed in main group chemistry in the structural chemistry of trimethylaluminium.
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] and thermochemical recipes including G3(MP2) [6] and T1. [7]