HG270000 Physical Chemistry IB

Hiroshima University Syllabus

Japanese

Academic Year 2024Year School/Graduate School School of Science

Lecture Code HG270000 Subject Classification Specialized Education

Subject Name 物理化学IＢ

Subject Name
（Katakana）ブツリカガク１B

Subject Name in
English Physical Chemistry IB

Instructor OKADA KAZUMASA

Instructor
(Katakana) オカダ　カズマサ

Campus Higashi-Hiroshima Semester/Term 2nd-Year, First Semester, 2Term

Days, Periods, and Classrooms (2T) Weds1-2,Fri7-8：SCI E002 AV

Lesson Style Lecture Lesson Style
(More Details) 　

Lecture style; frequent use of blackboard

Credits 2.0 Class Hours/Week 　 Language of Instruction B : Japanese／English

Course Level 2 : Undergraduate Low-Intermediate

Course Area（Area） 25 : Science and Technology

Course Area（Discipline） 07 : Chemistry

Eligible Students Department of Chemistry, School of Science

Keywords harmonic oscillator, rigid rotor, orbital, radial distribution function, spin, Pauli principle

Special Subject for Teacher Education 　 Special Subject 　

Class Status
within Educational
Program
(Applicable only to targeted subjects for undergraduate students) This lecture belongs to a series of subjects from "Basic Physical Chemistry B" to "Physical Chemistry IIB". It is strongly related to the subjects "Molecular Structural Chemistry" and "Quantum Chemistry". The contents provided in this lecture are all essential for the understanding of the various fields of chemistry.
Criterion referenced
Evaluation
(Applicable only to targeted subjects for undergraduate students) Chemistry
（Knowledge and Understanding）
・To thoroughly understand and learn knowledge of physical chemistry, inorganic chemistry and organic chemistry.
・Understanding and acquiring logical frameworks and structure of basic studying and knowledge and skills necessary for learning construction.

Class Objectives
/Class Outline Continued from the lecture "Basic Physical Chemistry B", the Schroedinger equation is solved for the harmonic oscillator, rigid rotor, and hydrogenic atoms, and the physical meanings are given in this lecture. Finally, the electronic structure of many-electron atoms is discussed. Assignments are assessed when necessary.

Class Schedule Lecture 1. Introduction: postulates of quantum mechanics and wave equations
Vibration: classical vibrations
Lecture 2. Vibration: the vibration of diatomic molecules
Lecture 3. Vibration: the quantum-mechanical oscillator
Lecture 4. Rotation: classical rotation in two dimensions
Lecture 5. Rotation: a particle on a ring
Lecture 6. Rotation: rotation in three dimensions
Lecture 7. Summary (midterm exam)
Lecture 8. Hydrogenic atoms: the radial wave equation
Lecture 9. Hydrogenic atoms: atomic orbitals
Lecture 10. Hydrogenic atoms: properties of atomic orbitals
Lecture 11. Hydrogenic atoms: radial distribution functions
Lecture 12. Many-electron atoms: spin and Pauli exclusion principle
Lecture 13. Many-electron atoms: the orbital approximation
Lecture 14. Many-electron atoms: perturbation theory applied to the helium atom
Lecture 15. Many-electron atoms: the Aufbau principle
Lecture 16. Summary (final exam)

Both midterm and final exams will be conducted.

Text/Reference
Books,etc. Required common texts:
Japanese version of P. Atkins and J. de Paula, Physical Chemistry, 10th Ed. (two volumes), Tokyo Kagaku Dojin. Original English version is now available as the 12th edition, published by Oxford University Press (2023).
Required text for this lecture:
D. O. Hayward, Quantum Mechanics for Chemists, Royal Society of Chemistry (2002).

Recommended reference books written in English are:
L. Pauling and E. B. Wilson, Jr., Introduction to Quantum Mechanics with Applications to Chemistry, Dover (1985).
T. Shida, The Chemical Bond: A Fundamental Quantum-Mechanical Picture, Springer (2004).
M. A. Ratner and G. C. Schatz, Introduction to Quantum Mechanics in Chemistry, Prentice-Hall (2001).
J. E. House, Fundamentals of Quantum Mechanics, 3rd Ed., Academic Press (2018).
P. Atkins and R. Freeman, Molecular Quantum Mechanics, 5th Ed., Oxford University Press (2011).

The following book has been put on reserve in the University Library:
M. Ruike, Fundamentals of Quantum Chemistry, Tokyo Denki University Press (2012) (in Japanese).
https://elib.maruzen.co.jp/elib/html/BookDetail/Id/3000006501

Good textbooks for studying mathematics for physical chemistry are
D. A. McQuarrie, Mathematics for Physical Chemistry: Opening Doors, University Science Books (2008).
J. R. Barrante, Applied Mathematics for Physical Chemistry, 3rd Ed., Waveland Press (2016).

PC or AV used in
Class,etc. 　

(More Details) PowerPoint slides

Learning techniques to be incorporated 　

Suggestions on
Preparation and
Review Lecture 1: Review your notes taken at the lecture Basic Physical Chemistry B. Read Foundation B.2 of the common text and Sec. 4.2.1 of the textbook.
Lecture 2: Read Topic 8B.1 of the common text and Sec. 4.2.1 of the textbook.
Lecture 3: Read Topic 8B.2 of the common text and Secs. 4.2.2-4.2.4 of the textbook. Write down the expression for the energy of the harmonic oscillator.
Lecture 4: Read Topics 8C.1(a) and (b) of the commom text and Secs. 5.1.1 and 5.1.2 of the textbook. What is the angular momentum? What is the moment of inertia?
Lecture 5: Read Topics 8C.1(b) and (c) of the common text and Secs. 5.1.2 and 5.1.3 of the textbook.
Lecture 6: Read Topic 8C.2 of the common text and Sec. 5.2 of the textbook. Did you understand the space quantization?
Lecture 7: Review Lectures 1-6.
Lecture 8: Read Topic 9A.1 of the common text and Secs. 6.4 and 6.5 of the textbook.
Lecture 9: Read Topics 9A.2(a)-(d) of the common text and Sec. 6.6 of the textbook.
Lecture 10: Read Topics 9A.2(e) and (g) of the common text and Sec. 6.6 of the textbook.
Lecture 11: Read Topic 9A.2(f) of the common text and Sec. 6.6 of the textbook.
Lecture 12: Read Topics 9B.1(a)-(c) of the common text and Secs. 5.3 and 7.4 of the textbook.
Lecture 13: Read again Topic 9B.1 of the common text.
Lecture 14: Look for the fundamentals of the perturbation theory in a reference book.
Lecture 15: Read Topic 9B.2 of the common text and Secs. 7.6, 7.10, and 7.11 of the textbook.
Lecture 16: Review Lectures 8-15.

Requirements This lecture is a required/compulsory subject for the students of the Department of Chemistry. It provides a basic subject of the Major and Minor Subjects in Chemistry.

Grading Method The course grade will be determined on the basis of the total score calculated by 40% midterm exam and 60% final exam. No supplementary/make-up exams will be provided.

Practical Experience

Summary of Practical Experience and Class Contents based on it

Message Auditors are assumed to have learned the basic concepts of quantum theory in the class "Basic Physical Chemistry B."

Other Materials relevant to this lecture will be uploaded on the Class Support System (Moodle), provided by the Information Media Center. You should be familiar with using the Moodle system.
The lecture style is to write on the blackboard in English and to teach in Japanese for explaining the specialized contents.

Please fill in the class improvement questionnaire which is carried out on all classes.
Instructors will reflect on your feedback and utilize the information for improving their teaching.

Academic Year	2024Year	School/Graduate School	School of Science
Lecture Code	HG270000	Subject Classification	Specialized Education
Subject Name	物理化学IＢ
Subject Name （Katakana）	ブツリカガク１B
Subject Name in English	Physical Chemistry IB
Instructor	OKADA KAZUMASA
Instructor (Katakana)	オカダ　カズマサ
Campus	Higashi-Hiroshima	Semester/Term	2nd-Year, First Semester, 2Term
Days, Periods, and Classrooms	(2T) Weds1-2,Fri7-8：SCI E002 AV
Lesson Style	Lecture	Lesson Style (More Details)
Lecture style; frequent use of blackboard
Credits	2.0	Class Hours/Week		Language of Instruction	B : Japanese／English
Course Level	2 : Undergraduate Low-Intermediate
Course Area（Area）	25 : Science and Technology
Course Area（Discipline）	07 : Chemistry
Eligible Students	Department of Chemistry, School of Science
Keywords	harmonic oscillator, rigid rotor, orbital, radial distribution function, spin, Pauli principle
Special Subject for Teacher Education		Special Subject
Class Status within Educational Program (Applicable only to targeted subjects for undergraduate students)	This lecture belongs to a series of subjects from "Basic Physical Chemistry B" to "Physical Chemistry IIB". It is strongly related to the subjects "Molecular Structural Chemistry" and "Quantum Chemistry". The contents provided in this lecture are all essential for the understanding of the various fields of chemistry.
Criterion referenced Evaluation (Applicable only to targeted subjects for undergraduate students)	Chemistry （Knowledge and Understanding）・To thoroughly understand and learn knowledge of physical chemistry, inorganic chemistry and organic chemistry. ・Understanding and acquiring logical frameworks and structure of basic studying and knowledge and skills necessary for learning construction.
Class Objectives /Class Outline	Continued from the lecture "Basic Physical Chemistry B", the Schroedinger equation is solved for the harmonic oscillator, rigid rotor, and hydrogenic atoms, and the physical meanings are given in this lecture. Finally, the electronic structure of many-electron atoms is discussed. Assignments are assessed when necessary.
Class Schedule	Lecture 1. Introduction: postulates of quantum mechanics and wave equations Vibration: classical vibrations Lecture 2. Vibration: the vibration of diatomic molecules Lecture 3. Vibration: the quantum-mechanical oscillator Lecture 4. Rotation: classical rotation in two dimensions Lecture 5. Rotation: a particle on a ring Lecture 6. Rotation: rotation in three dimensions Lecture 7. Summary (midterm exam) Lecture 8. Hydrogenic atoms: the radial wave equation Lecture 9. Hydrogenic atoms: atomic orbitals Lecture 10. Hydrogenic atoms: properties of atomic orbitals Lecture 11. Hydrogenic atoms: radial distribution functions Lecture 12. Many-electron atoms: spin and Pauli exclusion principle Lecture 13. Many-electron atoms: the orbital approximation Lecture 14. Many-electron atoms: perturbation theory applied to the helium atom Lecture 15. Many-electron atoms: the Aufbau principle Lecture 16. Summary (final exam) Both midterm and final exams will be conducted.
Text/Reference Books,etc.	Required common texts: Japanese version of P. Atkins and J. de Paula, Physical Chemistry, 10th Ed. (two volumes), Tokyo Kagaku Dojin. Original English version is now available as the 12th edition, published by Oxford University Press (2023). Required text for this lecture: D. O. Hayward, Quantum Mechanics for Chemists, Royal Society of Chemistry (2002). Recommended reference books written in English are: L. Pauling and E. B. Wilson, Jr., Introduction to Quantum Mechanics with Applications to Chemistry, Dover (1985). T. Shida, The Chemical Bond: A Fundamental Quantum-Mechanical Picture, Springer (2004). M. A. Ratner and G. C. Schatz, Introduction to Quantum Mechanics in Chemistry, Prentice-Hall (2001). J. E. House, Fundamentals of Quantum Mechanics, 3rd Ed., Academic Press (2018). P. Atkins and R. Freeman, Molecular Quantum Mechanics, 5th Ed., Oxford University Press (2011). The following book has been put on reserve in the University Library: M. Ruike, Fundamentals of Quantum Chemistry, Tokyo Denki University Press (2012) (in Japanese). https://elib.maruzen.co.jp/elib/html/BookDetail/Id/3000006501 Good textbooks for studying mathematics for physical chemistry are D. A. McQuarrie, Mathematics for Physical Chemistry: Opening Doors, University Science Books (2008). J. R. Barrante, Applied Mathematics for Physical Chemistry, 3rd Ed., Waveland Press (2016).
PC or AV used in Class,etc.
(More Details)	PowerPoint slides
Learning techniques to be incorporated
Suggestions on Preparation and Review	Lecture 1: Review your notes taken at the lecture Basic Physical Chemistry B. Read Foundation B.2 of the common text and Sec. 4.2.1 of the textbook. Lecture 2: Read Topic 8B.1 of the common text and Sec. 4.2.1 of the textbook. Lecture 3: Read Topic 8B.2 of the common text and Secs. 4.2.2-4.2.4 of the textbook. Write down the expression for the energy of the harmonic oscillator. Lecture 4: Read Topics 8C.1(a) and (b) of the commom text and Secs. 5.1.1 and 5.1.2 of the textbook. What is the angular momentum? What is the moment of inertia? Lecture 5: Read Topics 8C.1(b) and (c) of the common text and Secs. 5.1.2 and 5.1.3 of the textbook. Lecture 6: Read Topic 8C.2 of the common text and Sec. 5.2 of the textbook. Did you understand the space quantization? Lecture 7: Review Lectures 1-6. Lecture 8: Read Topic 9A.1 of the common text and Secs. 6.4 and 6.5 of the textbook. Lecture 9: Read Topics 9A.2(a)-(d) of the common text and Sec. 6.6 of the textbook. Lecture 10: Read Topics 9A.2(e) and (g) of the common text and Sec. 6.6 of the textbook. Lecture 11: Read Topic 9A.2(f) of the common text and Sec. 6.6 of the textbook. Lecture 12: Read Topics 9B.1(a)-(c) of the common text and Secs. 5.3 and 7.4 of the textbook. Lecture 13: Read again Topic 9B.1 of the common text. Lecture 14: Look for the fundamentals of the perturbation theory in a reference book. Lecture 15: Read Topic 9B.2 of the common text and Secs. 7.6, 7.10, and 7.11 of the textbook. Lecture 16: Review Lectures 8-15.
Requirements	This lecture is a required/compulsory subject for the students of the Department of Chemistry. It provides a basic subject of the Major and Minor Subjects in Chemistry.
Grading Method	The course grade will be determined on the basis of the total score calculated by 40% midterm exam and 60% final exam. No supplementary/make-up exams will be provided.
Practical Experience
Summary of Practical Experience and Class Contents based on it
Message	Auditors are assumed to have learned the basic concepts of quantum theory in the class "Basic Physical Chemistry B."
Other	Materials relevant to this lecture will be uploaded on the Class Support System (Moodle), provided by the Information Media Center. You should be familiar with using the Moodle system. The lecture style is to write on the blackboard in English and to teach in Japanese for explaining the specialized contents.
Please fill in the class improvement questionnaire which is carried out on all classes. Instructors will reflect on your feedback and utilize the information for improving their teaching.

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