Lecture

Ligand Field Theory: Crystal Field Splitting

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In course

CH-222: Coordination chemistry

Fundamental knowledge of coordination compounds. ...

Description

This lecture covers the second part of chapter 3 on ligand field theory, focusing on crystal field splitting and molecular orbital theory. It explains the concept of ligand field theory, crystal field theory, and bond order. The lecture discusses the impact of ligands on the splitting of d orbitals, the bonding and antibonding molecular orbitals, and the importance of ligand interactions in determining the spin state of transition metal complexes.

Instructor

Wendy Lee Queen

Teaching & PhD PhD Students Pratap Narayan Soni, Pattaraphon Rodlamul, Matthieu Meoli, Olivier Thomas Smith, Sanjay Venkatachalam, Anne Faustine Sido Belin, Christopher William Gardner, Lorenzo Meneghin Past EPFL PhD Students Mehrdad Asgari, Daniel Teav Sun, Ilia Kochetygov, Vikram Vinayak Karve, Anita Justin, Till Marian Schertenleib, Jocelyn Richard Roth, Timo Markus Oskar Felder Courses Chemical engineering practice ChE-309 This course provides the students with practical experience wit

Official source

Ontological neighbourhood

Chemistry

Inorganic chemistry: Coordination chemistry

Computational chemistry: Topics in computational chemistry

Related concepts (32)

Bonding molecular orbital

In theoretical chemistry, the bonding orbital is used in molecular orbital (MO) theory to describe the attractive interactions between the atomic orbitals of two or more atoms in a molecule. In MO theory, electrons are portrayed to move in waves. When more than one of these waves come close together, the in-phase combination of these waves produces an interaction that leads to a species that is greatly stabilized. The result of the waves’ constructive interference causes the density of the electrons to be found within the binding region, creating a stable bond between the two species.

Antibonding molecular orbital

In theoretical chemistry, an antibonding orbital is a type of molecular orbital that weakens the chemical bond between two atoms and helps to raise the energy of the molecule relative to the separated atoms. Such an orbital has one or more nodes in the bonding region between the nuclei. The density of the electrons in the orbital is concentrated outside the bonding region and acts to pull one nucleus away from the other and tends to cause mutual repulsion between the two atoms.

Spin states (d electrons)

Spin states when describing transition metal coordination complexes refers to the potential spin configurations of the central metal's d electrons. For several oxidation states, metals can adopt high-spin and low-spin configurations. The ambiguity only applies to first row metals, because second- and third-row metals are invariably low-spin. These configurations can be understood through the two major models used to describe coordination complexes; crystal field theory and ligand field theory (a more advanced version based on molecular orbital theory).

Gaussian orbital

In computational chemistry and molecular physics, Gaussian orbitals (also known as Gaussian type orbitals, GTOs or Gaussians) are functions used as atomic orbitals in the LCAO method for the representation of electron orbitals in molecules and numerous properties that depend on these. The use of Gaussian orbitals in electronic structure theory (instead of the more physical Slater-type orbitals) was first proposed by Boys in 1950.

Ligand field theory

Ligand field theory (LFT) describes the bonding, orbital arrangement, and other characteristics of coordination complexes. It represents an application of molecular orbital theory to transition metal complexes. A transition metal ion has nine valence atomic orbitals - consisting of five nd, one (n+1)s, and three (n+1)p orbitals. These orbitals are of appropriate energy to form bonding interaction with ligands. The LFT analysis is highly dependent on the geometry of the complex, but most explanations begin by describing octahedral complexes, where six ligands coordinate to the metal.

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