2019 Molecular Structural Science

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Academic unit or major
Undergraduate major in Chemistry
Koshihara Shinya  Okimoto Yoichi 
Class Format
Media-enhanced courses
Day/Period(Room No.)
Mon1-2(H112)  Thr1-2(H112)  
Course number
Academic year
Offered quarter
Syllabus updated
Lecture notes updated
Language used
Access Index

Course description and aims

The purpose of this lecture course: To get the knowledges for understanding the relation between form of molecules and optical data.

This lecture consist of three main subjects
1:Study about the simple model for treating the moleculr vibrations
2:Study the relation between group theory and molecular vibrational spectroscopy
3:Understand the molecular structure based on spectroscopic data based on the thoretical model

Student learning outcomes

The ultimate purpose of thie lecture is following 2 points:
1:Study about the role of quantum mechnics in the molecular dynamics
2:Based on the basic quantum mechanics combining with group theory, get the knowledges for understanding the relation between molecular structure and spectroscopic data.


structure of molecules, spectroscopy, infrared (IR) absorption, Raman scattering, group theory

Competencies that will be developed

Specialist skills Intercultural skills Communication skills Critical thinking skills Practical and/or problem-solving skills

Class flow

Lecture includes a few times training test based on simple problems.

Course schedule/Required learning

  Course schedule Required learning
Class 1 Explanation about the whole of this lecture. Let's discuss about the way for imaging molecules
Class 2 Simple modeling utilizing quantum mechanics 1: Model for molecular vibrations as classical oscilator. What is the most simple model of molecues ?
Class 3 Development to the quantum mechanical model of molecule from classical one. How we can prepare the simple quantum mechanical model for molecules from xcalssical mechanics ?
Class 4 Molecular vibration modeled as quantized harmonic oscillator Characteristics of molecules based on the quantum harmonic oscillator
Class 5 Combined molecular vibrational modes expected from the 'structure! How to simplify the complex and combined vibrational modes ?
Class 6 Simple model to understand the relation among complicted vibrational modes Let's understand the important role of liner algebra in molecular structural science
Class 7 Simplfy the complicated relation among vibrational modes by group theory Let's treat molecular structure by group theory
Class 8 Interaction between matter and light. How the molecule absorb photon ?
Class 9 How the structure of the molecule make effect on the light absorption ? Relation between absorption and moleculer structure can be expalined by quantum mechanics ?
Class 10 Mechanisms of Infrared abosorption and Raman scattering based on light-matter interation Can the quntum mechanical model explain both IR absorption and Raman scattering ?
Class 11 Discussion utilizing realistic example 1:analyze the mo;ecular structure based on group theory How the group theory treat rela molecules ?
Class 12 Discussion utilizing realistic example 2:How the character in group theory can simplyfy the discussion Let's classify the various molecules utilizing group thepry and character table
Class 13 Discussion utilizing realistic example 3: the realistic way to determine the structure of water moleclue utilizing spectroscopic data. Lets's confirm the relation between structure of water molecule and spectroscopic data.
Class 14 Discussion utilizing realistic example 4: Other molecules Let's utilize the method based on group theory and observed spectrosopic data for other simple molecules as example
Class 15 Summary Comparison with the data of experimental course


Physical Chemistry, D . Ball, Brooks/Cole Thomson Learning 2003

Reference books, course materials, etc.

no textbook is specified

Assessment criteria and methods

Following three points will be evaluated: 1:Advanced knowledges about molecular vibration based on the quantum mechanics, 2:Classification of molecular structures utilizing group theory, 3: Knowledges and techniques necessary for making clear the molecular structure based on spectroscopic data.

Evaluation will be made by the final test and report about the training problems set in the lecture course. The final test (report) will occupy 80 % (20%) of the evaluation.

Related courses

  • CHM.C331 : Solid State Chemistry
  • CHM.B332 : Photochemistry
  • CHM.C334 : Chemical Kinetics
  • EEE.D331 : Optical and Electromagnetic Property in Semiconductors

Prerequisites (i.e., required knowledge, skills, courses, etc.)

Basic knowledge about the quantum mechanics is required.

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