2018 Basic Concepts of Physical Chemistry

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Academic unit or major
Graduate major in Chemistry
Instructor(s)
Kouchi Noriyuki  Ohshima Yasuhiro  Kiguchi Manabu  Koshihara Shinya  Kitajima Masashi  Okimoto Yoichi  Nishino Tomoaki 
Course component(s)
Lecture
Day/Period(Room No.)
Mon5-6(H114)  Thr5-6(H114)  
Group
-
Course number
CHM.C401
Credits
2
Academic year
2018
Offered quarter
1Q
Syllabus updated
2018/3/20
Lecture notes updated
2018/5/28
Language used
Japanese
Access Index

Course description and aims

Students are given an overview of quantum chemistry for the fundamentals of physical chemistry, and provided with the quantum-chemical basics for an idea on materials, from atoms and molecules to molecular aggregates.
Students will learn about the electronic state, structure, dynamic properties of molecules and their interaction with light. Furthermore, based on statistical mechanics of molecular aggregates, students study the electronic state and electronic properties of molecular aggregates, and learn the concepts of metals, semiconductors, etc.

Student learning outcomes

By the end of this course students will understand
1) the hierarchy of energy in molecules and the corresponding spectroscopy
2) the electronic states and electronic properties of condensed matter and the behavior of metals and semiconductorsconcept of energy band structure.

Keywords

Molecular structure, Molecular spectroscopy, Molecular partition function, Energy band structure, Optical peroperty of mol;ecular solids, Density of states, Fermi energy

Competencies that will be developed

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

Class flow

The lecture about the molecular energy levels is given on every Monday, and that about the solid-state physics is given on every Thursday.

Course schedule/Required learning

  Course schedule Required learning
Class 1 General explanation about this course, fundamental of statistical physics Explain molecular partition function.
Class 2 Introduction of energy levels of molecules Explain the hierarchy of energy in molecules and the corresponding wave lengths of light.
Class 3 Application of statistical physics to ideal gas Explain molecular partition function of ideal gas.
Class 4 Rotational levels and microwave spectroscopy Quantitatively describe the rotational energy level structure of linear molecules and show the relationship to molecular structure.
Class 5 Lattice specific heat Explain lattice specific heat.
Class 6 Vibrational levels and IR/Raman spectroscopy Quantitatively describe the energy level structure of harmonic oscillators and explain the selection rules for IR transitions.
Class 7 Electronic structure of solids Explain density of states of metal.
Class 8 Electronic states and visible/UV spectroscopy Describe the electronic states of molecules in terms of molecular orbitals and specify the symmetry of the electronic states by using group theory.
Class 9 Electronic specific heat Explain temperature dependence of electronic specific heat.
Class 10 Nonlinear spectroscopy and LASER Explain the principle of LASER.
Class 11 Electron transport Explain electron transport
Class 12 Electron and Nuclear spins Describe the quantum mechanics of spin angular momentum, and quantitatively show the interactions between multiple spins.
Class 13 Heat transport Explain heat transport
Class 14 Magnetic resonances Quantitatively show the interactions between the spin and the external magnetic field and explain the principles of NMR and ESR.

Textbook(s)

Course materials are provided during class if necessary.

Reference books, course materials, etc.

None required.

Assessment criteria and methods

Students’ course scores are based on understanding of basic concepts of atoms and molecules, condensed matter, and surfaces.
Activities in class 10%, Final examination 90%

Related courses

  • CHM.C532 : Advanced Quantum Chemistry
  • CHM.C531 : Advanced Physical Chemistry

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

Introductory quantum chemistry

Contact information (e-mail and phone)    Notice : Please replace from "[at]" to "@"(half-width character).

Yasuhiro Ohshima ohshima[at]chem.titech.ac.jp
Manabu Kiguti kiguti[at]chem.titech.ac.jp

Office hours

Contact by email in advance to schedule an appointment.
Yasuhiro Ohshima (West Building 4, Room 105B)
Manabu Kiguti (West Building 4, Room 102B)

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