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In inorganic chemistry, the cis effect is defined as the labilization (or destabilization) of CO ligands that are cis to other ligands. CO is a well-known strong pi-accepting ligand in organometallic chemistry that will labilize in the cis position when adjacent to ligands due to steric and electronic effects.
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 .
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]
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 ...
Space-filling model of ferrocene, the archetypal sandwich compound. In organometallic chemistry, a sandwich compound is a chemical compound featuring a metal bound by haptic, covalent bonds to two arene (ring) ligands. The arenes have the formula C n H n, substituted derivatives (for example C n (CH 3) n) and heterocyclic derivatives (for ...
Ligand field theory resulted from combining the principles laid out in molecular orbital theory and crystal field theory, which describe the loss of degeneracy of metal d orbitals in transition metal complexes.
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.
In a tetrahedral molecular geometry, a central atom is located at the center with four substituents that are located at the corners of a tetrahedron.The bond angles are arccos(− 1 / 3 ) = 109.4712206...° ≈ 109.5° when all four substituents are the same, as in methane (CH 4) [1] [2] as well as its heavier analogues.