Chem222: Physical Chemistry II (2011' spring) Wednesday and Friday 15:00-16:20 Rm#2303
Description:
This course is the Part II of PChem for students majoring in chemistry. It focuses mainly on
a) Basic principle of Quantum Mechanics
b) Elementary Quantum Chemistry
c) Optical spectroscopy of simple molecules
d) Basic information on statistical mechanics
Instructor: Prof. YiJing Yan Email: yyan@ust.hk
Ext.7388
Rm#4530
Office hours: 14:30-16:00
Thursday
Rm#4530
 Welcome to make an appointment to see me at any other time
 Suggestions from you are very important
 Questions emailed to me will be answered within 24 hours
Teaching Assistants (office hours: 11:00-12:30 Friday, Rm. 4207A ; Ext. 7408)
Zhang, Lu
Email: lyizl@ust.hk
Zhang, Houdao
Email: houdao@ust.hk
Cui, Zhaoning Raymond
Email: czn@ust.hk
Meng, Luming
Email: mldaet@ust.hk
Lv, Weiqiang
Email: chwqlv@ust.hk
Shi, Chuan
Email: cshiaa@ust.hk
Credit/Grating:
Quiz: 2  10%
Midterm: 35%
Final: 45%
Textbook : Physical Chemistry, by P. W. Atkins, 8th edition (Oxford, 2006)
Coverage:
a) Ch 8-11
b) Selected topics from Ch13 and Ch14
c) Additional materials (see L_Notes2) on the advanced treatment
Main References
Adamson, A.W. “A Textbook of Physical Chemistry” 3rd Ed., Acdemic Press, 1986. (QD453.2.A3
1986)
Klotz, I. M. and Rosenberg, R. M. “Chemical Thermodynamics: Basic Theory and Methods” 6th ed,
John Wiley, 2000. (QD 504.K55 2000)
DeVoe, H. “Thermodynamics and Chemistry” Prentice Hall, 2001. (QD504.D48 2001)
Ott, J.B. “Chemical Thermodynamics” Academic Press, 2000. (QD504.O87, 2000)
Smith, J.M. “Introduction to Chemical Engineering Thermodynamics” 6th ed, McGraw-Hill, 2001.
(TP155.T45.S58, 2001)
Chang, R. “Physical Chemistry for the Chemical and Biological Sciences” 3rd ed., Univ. Sci. Press,
2000. (with Solutions Manual by Leung, H.O. and Marchall, M.D.) (QD453.2.C48 2000)
Alberty, R.A. (2003) “Thermodynamics of Biological Reactions” Wiley 2003.
Mathematical Tools
McQuarrie, D. A. “Mathematics for Physical Chemistry”, 2008, Univ. Science Books
Yates, P. “Chemical Calculations – Mathematics for Chemistry”, 2007, CRC Press.
Mortimer, R.G. “Mathematics for Physical Chemistry” 2nd Ed., Academic Press, 1999.
(QD455.3.M3.M67.1999)
Hecht, H.G. “Mathematics in Chemistry” Prentice Hall, 1990.(QD39.3.M3.H43.1990)
Starzak, M.E. “Mathematical Methods in Chemistry and Physics” Plenum,1989. (QD39.3.M3.S73.1989)
Physics Reference
G. A. D. Ritchie and D. S. Sivia , “ Foundations of Physics for Chemists”, 2000, Oxford
GENERAL ADVICE:
(a) NEVER ACCUMULATE DIFFICULTIES TO THE END OF SEMESTER
Should you have any confusion/questions/problems about the lectures/text/assignments, do not
hesitate to ask for help from the instructor or TAs. The accumulation of problems would only
create more trouble for you to follow the new lectures.
(b) TEAM-WORK IS STRONGLY ENCOURAGED
Discuss with each other (after the class!)! Do homework in groups! They have proven to be
highly efficient means to enhance the understanding of difficult concepts in this course.
(c) CONCEPTS ARE MORE IMPORTANT THEN MATHEMATICAL SKILLS
Note on Homework Assignment:
(i) Reading textbook/notes before and after lectures/tutorials
(ii) HW is not needed to hand in
(iii) Quiz questions are exclusively only from HW questions
(iv) The default Exercises questions are from (a), unless specified;
e.g. E11.2 means Exercise 11.2(a), but E1.12(b) means the Exercise 1.12(b)
(v) Homework question P1.12 means the Problem 1.12
(vi) homework question D9.1 means the Discussion questions 9.1 in the textbook
(vii) It is important to work out the assigned questions soon after the corresponding lecture
Schedule of Lectures (Public holidays/Break: 22 Apr) and Homework Assignments
Quantum Mechanics
L1-4 (9 - 22 Feb)
Quantum Theory: Basic concepts
(Ch8)
HW / Quiz questions: D8.1-8.6; E8.1-E8.5, E8.2(b), E8.8, E8.10, E8.12, E8.13
L5/6
L6
(23-28 Feb)
(25-28 Feb)
Particle in a box (& quantum well) and tunneling (Ch9.1-9.3)
Particle in a ring
(Ch9.6)
HW/ Quiz questions: D9.1; E9.1−E.3, E9.7(b),
2 March: Quiz I
L7-10 ( 2 - 17 Mar)
Vibration motion, rotation motion and spin
(via Advanced Treatment; see L-notes2)
HW/ Quiz questions : E9.10, E9.13, E9.15-E9.17,
(Also the additional ones given inside L-Notes2 )
L11-12 (18-24 Mar)
(Ch9.6-9.8)
P9.2, P9.3
Spectroscopy: Basic (selected sections from Ch13 and 14)
HW/ Quiz questions: E13.5-E13.8, E.15; P13.7
25 Mar:
30 Mar:
Review for Midterm
Midterm (50 min)
Quantum Chemistry
L13-14 (1-7 Apr)
L15-16 (8-14 Apr)
L17 (15-19 Apr)
Hydrogen atom and its spectrum
Concept of atomic orbitals
More about atoms
(Ch10.1-.3)
(Ch10.4-.5)
(Ch10.6-.9)
HW/ Quiz questions : E10.5, E10.6, E10.8-.12, E10.15-.18
20 April: Quiz II (before Easter)
L18-19 (27 Apr-3 May) H2 molecule and valence-bond theory
L20-22 (4 - 12 May)
Molecular orbital theory
Hückel molecular orbital approximations
(Ch11.1-.2)
(Ch11.3-.5)
(Ch11.6)
HW : D11.1−D11.4; E11.1−11.13 [including both (a) and (b)]; P11.26, P11.27
L23
(13 May)
18 May:
FINAL EXAMINATION:
Computational Chemistry: Basic
Review for Final Examination
Time/Venue (TBA)
(Ch11.7)
CHEM 122
Instructors : Prof. Yan
Fall, 2010
The Intended Learning Outcomes
Upon the study of this course, students are expected to establish a recognition of the fundamentally
important role of Physical Chemistry in molecular science, to gain a better understanding of the
relationship between Physical Chemistry and other sub-areas of chemistry (such as Organic,
Inorganic, Analytical, Biological, Environmental and Materials Chemistry), to develop an
appreciation of the relationship between chemistry and Physics, Mathematics and other disciplines in
science, and to be able to assess and judge some of the pressing societal issues in health, environment,
and new technologies from the point of view of Physical Chemistry.
Students are expected
A
Chemistry Related Knowledge and Understanding
A.1 to grasp the basic principles of quantum mechanics and quantum chemistry, understand when
quantum nature is expected to be important, and what would be the consequences
A.2 to grasp the concepts of spectroscopic transition and selection rules
A.3 to better understanding related phenomena in other sub-areas and interdisciplinary areas of
chemistry
B
Intellectual Skills in Chemistry
B.1 able to apply the principles quantum mechanics to a wide range of chemical problems from
other sub-areas and interdisciplinary areas of chemistry
B.2 to improve the critical and logical thinking skills
C
Chemistry-Related Practical Skills
C.1 to gain a qualitative impression of the common physical techniques and experimentally
measurables employed in the study of molecular structure and dynamics
D
Transferable Skills
D.1 able to communicate effectively in both oral and writing in terms of quantum mechanics
principles and concepts
D.2 able to demonstrate information technology skills, especially in the areas of information
retrieval, literature searching and library databases relevant to quantum mechanics, quantum
chemistry, and molecular structures
D.3 able to show self awareness, to interact with other people in team working, and to work
independently.