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2018　Basic Quantum Chemistry I

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Academic unit or major
Basic science and technology courses
Instructor(s)
Ishikawa Ken 
Class Format
Lecture     
Media-enhanced courses
Day/Period(Room No.)
Tue3-4(W321)  
Group
I
Course number
LAS.C105
Credits
1
Academic year
2018
Offered quarter
4Q
Syllabus updated
2018/3/20
Lecture notes updated
2019/1/11
Language used
Japanese
Access Index

Course description and aims

This course covers fundamentals of quantum chemistry. Following the overview of the old quantum theory, the precursor of the quantum mechanics, an outline of the ideas of quantum mechanics is presented, which is widely used later in this course. The simplest problem, a particle in a box, is then discussed to show the difference between the classical mechanics and quantum mechanics in detail. The electronic structure of hydrogen atoms and many-electron atoms are presented as a basis of quantum chemistry of molecules. Finally the chemical bonding and structure of molecules are discussed.
As one of the science and engineering basic courses required by all Tokyo Tech students, this course provides essential contents of quantum chemistry in chemistry field. Students will acquire general knowledge, methods and way of thinking on chemistry.

Student learning outcomes

By the end of this course, students will be able to:
1) Explain the outline of quantum mechanics
2) Explain the periodic law of the elements on the basis of quantum states of electrons in atoms
3) Explain the chemical bond in terms of quantum states of electrons in molecules
4) Explain the structure and energy of simple molecules in terms of molecular orbitals

Keywords

wave equation, electronic state, Pauli principle, chemical bond, atomic and molecular orbital

Competencies that will be developed

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

Class flow

Basically, each class covers one chapter in the textbook according to the course schedule. Each class consists of outline of basic topics, explanation of exercise problems, and introduction of related topics. Students are required to learn outside of the classroom for preparation and review purposes under the instructor's guidance.

Course schedule/Required learning

  Course schedule Required learning
Class 1 Overview of old quantum theory 　Black body radiation, photoelectric effect, and emission of radiation from hydrogen atoms Read chapter 1 in the textbook and understand basic knowledge. Solve related exercise problems.
Class 2 Outline of the ideas of quantum mechanics Operators and observables and Hamiltonians Read chapter 2 in the textbook and understand basic knowledge. Solve related exercise problems.
Class 3 A particle in a box Comparison between classical mechanics and quantum mechanics Read chapter 3 in the textbook and understand basic knowledge. Solve related exercise problems.
Class 4 Hydrogen atom Hamiltonian for single electron systems, angular momentum, wavefunctions and energy levels Read chapter 4 in the textbook and understand basic knowledge. Solve related exercise problems.
Class 5 Many-electron atom Atomic orbital, electron spin, Pauli principle, electron configuration, and periodic law of the elements Read chapter 5 in the textbook and understand basic knowledge. Solve related exercise problems.
Class 6 Structure and energy of molecules I H2+ ion, molecular orbitals, and orbital energies Read chapter 6 in the textbook and understand basic knowledge. Solve related exercise problems.
Class 7 Structure and energy of molecules II H2 molecule, molecular orbitals and chemical bonding, and hybrid orbitals and molecular structure Read chapter 7 in the textbook and understand basic knowledge. Solve related exercise problems.
Class 8 Review of structure and energy of molecules Summary of the course Review chapters 1-7 in the textbook. Solve and review exercise problems in all chapters.

Textbook(s)

Basic Chemistry for Science and Engineering Students - Quantum Chemistry; Ed. by Department of Chemistry, School of Science, Tokyo Institute of Technology; Kagaku-dojin

Reference books, course materials, etc.

None.

Assessment criteria and methods

Students' knowledge of basic topics of quantum chemistry covered in the course will be assessed by final exam.

Related courses

  • LAS.C110 ： Chemistry Laboratory I
  • LAS.C112 ： Chemistry Laboratory II

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

None.

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