Structural Chemistry(2.0 credits)
|Course Type||:||Basic Specialized Courses|
|Starts 1||:||3 Autumn Semester|
|Lecturer||:||Hideo TAKAGI Associate Professor|
|The course will not be offered this year.
In this course, students will learn theoretical concepts that control structures and reaction pathways of chemical
compounds without using complicated mathematics. For this purpose, students will learn basic concepts of the group
theory in the first half of this course. Students will learn various point groups, structures of character tables, and
basic mathematical techniques related to the group theory.
Then students will learn first- and second-order Jahn-Teller effects that are related to the distortions of ground-state
structures and the activation energy of chemical reactions. Finally, the students will learn symmetry rules that
determine the pathways of reactions.
By taking this course, students will understand (1) symmetry elements and symmetry operations of various point
groups; (2) methods of mathematical calculations using character tables; (3) method to draw molecular orbital by
obtaining group orbitals; (4) analyses of normal mode vibrations of simple molecules by leaning the whole molecule
method and internal coordinate method; (5) judgment if a given dipole transition is allowed or not; (6) determinations
of ground-state structures of various compounds; and (7) judgment if a given reaction is allowed to proceed thermally
/ photochemically or not. Students also learn about basic mathematics related to the projection operators and the
Great Orthogonality Theorem.
|1. Symmetry elements / operations and point groups
2. Structure of character tables, reducible and irreducible representations, and direct product
3. Kugel Group and subgroup
4. Application of Group Theory 1: group orbital and molecular orbital
5. Application of Group Theory 2: analyses of normal mode vibrations and basic concepts of IR / Raman spectroscopy
6. Application of Group Theory 3: judgments of electronic / IR / Raman transitions
7. Application of Group Theory 4: Jahn-Teller Theorem and structures of compounds
8. Application of Group Theory 5: Allowed and forbidden reactions; Adiabaticity of
concerted processes; Symmetry Rules and Principle of Least Motion
It is desirable to read a textbook or reference materials before a class
|Theories for Structures and Reactions; A Practical Guide to the Physical Theories in Chemistry (by HDT)|
|S.F.A. Kettle, Symmetry and Structure ‒ a Readable Group Theory for Chemists, Wiley, and other books referred to in the textbook.|
|Final examination (50%), assignments (50 %).|