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  2. Ligand field theory - Wikipedia

    en.wikipedia.org/wiki/Ligand_field_theory

    The greater stabilization that results from metal-to-ligand bonding is caused by the donation of negative charge away from the metal ion, towards the ligands. This allows the metal to accept the σ bonds more easily. The combination of ligand-to-metal σ-bonding and metal-to-ligand π-bonding is a synergic effect, as each enhances the other.

  3. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    Molecular orbital theory was seen as a competitor to valence bond theory in the 1930s, before it was realized that the two methods are closely related and that when extended they become equivalent. Molecular orbital theory is used to interpret ultraviolet–visible spectroscopy (UV–VIS). Changes to the electronic structure of molecules can be ...

  4. Inverted ligand field theory - Wikipedia

    en.wikipedia.org/wiki/Inverted_ligand_field_theory

    Cu(CF 3) 4 − square planar structure. The first example of an inverted ligand field was demonstrated in paper form 1995 by James Snyder. [5] In this theoretical paper, Snyder proposed that the [Cu(CF 3) 4] − complexes reported by Naumann et al. and assigned a formal oxidation state of 3+ at the copper [6] would be better thought of as Cu(I).

  5. 18-electron rule - Wikipedia

    en.wikipedia.org/wiki/18-electron_rule

    Compounds that obey the 18-electron rule are typically "exchange inert". Examples include [Co(NH 3) 6]Cl 3, Mo(CO) 6, and [Fe(CN) 6] 4−.In such cases, in general ligand exchange occurs via dissociative substitution mechanisms, wherein the rate of reaction is determined by the rate of dissociation of a ligand.

  6. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The p-orbitals oriented in the z-direction (p z) can overlap end-on forming a bonding (symmetrical) σ orbital and an antibonding σ* molecular orbital. In contrast to the sigma 1s MO's, the σ 2p has some non-bonding electron density at either side of the nuclei and the σ* 2p has some electron density between the nuclei.

  7. Coordination complex - Wikipedia

    en.wikipedia.org/wiki/Coordination_complex

    Cisplatin, PtCl 2 (NH 3) 2, is a coordination complex of platinum(II) with two chloride and two ammonia ligands.It is one of the most successful anticancer drugs. A coordination complex is a chemical compound consisting of a central atom or ion, which is usually metallic and is called the coordination centre, and a surrounding array of bound molecules or ions, that are in turn known as ligands ...

  8. Drug design - Wikipedia

    en.wikipedia.org/wiki/Drug_design

    The phrase "drug design" is similar to ligand design (i.e., design of a molecule that will bind tightly to its target). [6] Although design techniques for prediction of binding affinity are reasonably successful, there are many other properties, such as bioavailability, metabolic half-life, and side effects, that first must be optimized before a ligand can become a safe and effictive drug.

  9. Spin crossover - Wikipedia

    en.wikipedia.org/wiki/Spin_crossover

    SCO induces changes in metal-to-ligand bond distances due to the population or depopulation of the e g orbitals that have a slight antibonding character. Consequently X-ray crystallography above and below transition temperatures will generally reveal changes in metal-ligand bond lengths. Transitions from a HS to a LS state cause a decrease in ...