This course introduce students to the ligand-field model and its applications in understanding the electronic (UV/Vis) spectra and magnetism of transition metal complexes. The course also involves a basic introduction to computational chemistry with the emphasis on molecular-orbital theory. The laboratory sessions provide students with experience in the computational chemistry techniques used to model the structures, properties and chemical reactivity of molecules.

On satisfying the requirements of this course, students will have the knowledge and skills to:

1. A background knowledge of the ligand-field model and its applications in understanding the electronic spectra and magnetism of transition metal complexes. (LO1)

2. An understanding of the theory, concepts and terminology of computational chemistry with an emphasis on electronic structure calculations using the molecular-orbital model. (LO2)

3. Be able to perform electronic structure calculations using computational chemistry software such as the Gaussian molecular-orbital program. (LO3)

Written Exams 70% (LO1-LO2)

Lab Reports 30% (LO3)

65 hours of lectures/tutorials/laboratory plus a further 65 hours of independent learning.

Prerequisite - CHEM2210.

Incompatibility - CHEM3023, CHEM3064.

A background knowledge in inorganic and or physical chemistry at the second year level.

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