NKEB14003U Introduction to Ligand Field Theory

Volume 2014/2015
Content
Atomic orbitals, real and complex function bases, transformations, angular momenta, spin, crystal field theory, the Angular Overlap Model, interelectronic repulsion, spin-orbit coupling, weak- and strong-field bases, Tanabe-Sugano- and Orgel diagrams. d-d spectroscopy, EPR spectroscopy, magnetism, vector coupling theory, magnetism of d- and f-electron systems.
Learning Outcome
Competences
The student understands the model structure of and underlying assumptions upon which ligand field theory is built.
The Student is able to apply ligand field theory to simple problems concerning electronic structure of d- and f-electron systems.

Knowledge
The student knows of the concepts:
One-electron function bases
Eigenbases of the ligand field and of the interelectronic repulsion
Terms, configurations, and microstates
The crystal field model
The assumptions of ligand field theory
Semi-empirical parametrization of d-d spectra
Additive ligand field models
Holohedrized symmetry
Energy-level diagrams; Tanabe-Sugano and Orgel types
Vector coupling theory
Spin-orbit coupling

Skills
The student is able to:
Account for the concept of real and complex orbitals
Transform between different one-electron function bases
Set-up a crystal field model for a given geometry
Set-up Angular Overlap Model description of real chemical systems
Generate Walsh diagrams for one-electron systems
Describe how interelectron repulsion is modeled in ligand field theory
Explain and parametrize d-d electronic spectra
Explain the concepts of weak and strong ligand fields
Account for the effects of spin-orbit coupling on energies and eigenfunctions for d-electron systems
Apply vector coupling schemes to generate spin-orbit coupling eigenfunctions
Use ligand field theory to explain in a simplifined way the magnetic properties of transition metal compounds.
B.N.Figgis & M. Hitchman; ”Ligand Field Theory and its Applications; Wiley, VCH, 2000; ISBN: 0-471-317776-4” supplemented with notes
Knowledge of quantum numbers, basic atomic electronic structure, valence-bond models, hybridization, angular momentum.
Lectures and theoretical excersises
  • Category
  • Hours
  • Course Preparation
  • 142
  • Exam Preparation
  • 32
  • Lectures
  • 32
  • Total
  • 206
Credit
7,5 ECTS
Type of assessment
Written assignment, 1 uge
Written, individual assignments
Aid
All aids allowed
Marking scale
passed/not passed
Censorship form
No external censorship
several internal examiners
Criteria for exam assesment
Mastership of the course objectives demonstrated by practical application of the methods and models covered in the course.