Fall 2002
Administrative Information
Class meets: MWF 10:00-10:55 in Camino 28
Class Text: Physical Chemistry, 3rd ed. R. J. Silbey and R.
A. Alberty
Instructor: Dr. Jeremy Kua
Office: Camino Modular Offices Room 111
Phone: x7970
E-mail: jkua@sandiego.edu
Office hours: M,F 1100-1200; W 1430-1600; TTh 0900-1000
Class web site: Chemistry
114A
Course goals: To understand the application of quantum mechanics to chemistry. The course will cover fundamentals of quantum mechanics, its application to atoms and molecules, chemical bonding, and a brief introduction to spectroscopy.
Course requirements:
1. There will be four in-class exams and one Final Exam. There will
be problem sets every non-exam week composed of a mixture of assigned questions
both from the text and from me.
2. A good grasp of calculus is important for understanding the material and completing the problem sets and exams. It is your responsibility to refamiliarize yourself with your calculus text if you need a refresher.
3. Collaboration is allowed on problem sets but each student must write up their own work. I am not as interested in whether you got the right answer but how you arrived at your answer. Intermediate steps must be shown.
4. There will be NO collaboration on any exam.
5. Grade breakdown is as follows:
Problem Sets
16%
4 Exams @ 14% each
56%
Final Exam
28%
6. Tentative Grading Scale (subject to change by the instructor at any
time)
A 85-100%
B 70-84%
C 55-69%
D 40-54%
F 0-39%
7. Late homework will receive no credit (although I will go through your answers with comments). There are no make-up exams. If you have a very good reason for missing an exam you have to let me know beforehand.
8. In general, homework will be handed out on Friday in class and due the following week in class (at 10:00am). Exceptions will be when Friday is a holiday at which point there will be a shift to either the class before or the class after.
9. Students are most welcome to come in during office hours. If I'm in my office and not swamped with work outside of my designated office hours, I will be happy to answer questions and discuss coursework. I check my e-mail reasonably often during working hours so you can contact me that way too. (Don't expect replies on weekends and evenings.)
10. All students are expected to adhere strictly to the Academic Integrity policy. Violations will be dealt with through the Dean of College of Arts and Sciences, in accordance with the University of San Diego policy on academic integrity.
Homework 1: 9.2, 9.3, 9.6, 9.7, 9.12, 9.13
is due Friday, 13 Sept in class at 9:30am.
Homework 2: Mac word document (link removed)
is due Friday, 20 Sept in class at 10:00am.
Exam 1 equation guide in Mac word document format Chem 114 Equations
Homework 3: 9.19, 9.20, 9.23, 9.24, 9.34, 9.35
is due Monday, 07 Oct in class at 10:00am.
Homework 4: Mac word document (link removed)
is due Friday, 11 Oct in class at 10:00am.
Exam 2 equation guide in Mac word document format Chem 114 Equations (Updated)
Homework 5: 10.15, 10.26, 10.27, 10.29, 10.35, 10.45
is due Monday, 28 Oct in class at 10:00am.
Homework 6: Mac word document (link removed)
is due Friday, 01 Nov in class at 10:00am.
Homework 7: Mac word document (link removed)
is due Friday, 22 Nov in class at 10:00am.
Homework 8: Mac word document (link removed)
is due Wednesday, 11 Dec in class at 10:00am.
Approximate associated sections of the text are in parenthesis.
Blank lines delimit separate weeks.
04 Sep Introduction
Failure of Classical Mechanics (9.1,9.16)
06 Sep deBroglie hypothesis (9.1)
Heisenberg Uncertainty Principle (9.2)
09 Sep The Schrodinger equation (9.3,9.14)
11 Sep Operators, Functions, Variables (9.4)
13 Sep Stationary States, Expectation Values (9.5)
[note: shorter class due
to Mass]
16 Sep Solutions to the Schrodinger Equation (9.5,9.14)
Postulates of Quantum Mechanics (9.13)
18 Sep Particle in a one-D box (9.6)
20 Sep Particle in a two-D box (9.7)
Degeneracy
23 Sep Quantum Tunneling (9.15)
25 Sep Exam #1
27 Sep Harmonic Oscillator
(9.9,9.10)
30 Sep Angular Momentum (9.12)
Rigid Rotor (9.11)
02 Oct Hydrogen atom (10.1,10.2,10.15)
Schrodinger equation, Polar Coordinates, Separation of Variables
04 Oct Hydrogen atom (10.1,10.2,10.3)
Quantum Numbers, Energy Levels, Radial functions
07 Oct Hydrogen atom (10.3,10.4,10.5)
Angular and Spin functions, Probability Density, Distribution functions
09 Oct Helium atom (10.7,10.8)
Pauli Principle, Determinants
11 Oct Improvements to He atom
(10.7,10.8)
Variational Principle, Shielding and Effective Nuclear Charge
14 Oct Polyelectronic atoms
(10.9,10.10,10.11,10.12)
Li atom
Aufbau Principle
Hartree-Fock Wavefunctions
16 Oct Exam
#2
18 Oct Fall Holiday -- no class
21 Oct Born-Oppenheimer Approximation
(11.1)
Hydrogen Molecule Ion (11.2,11.3)
23 Oct LCAO Method and
Introduction to Molecular Orbital Theory (11.3)
Hydrogen molecule (11.4)
25 Oct Homonuclear diatomics
(11.5)
Correlation diagrams
28 Oct Other polyatomics (11.6)
Hybridization
Molecular shapes: First row hydrides
30 Oct Huckel MO Theory
for pi-systems (11.7)
01 Nov Computational Chemistry Jargon
04 Nov Applications of Computational
Chemistry: Catalysis
06 Nov Exam
#3
08 Nov Valence Bond Theory (11.6)
11 Nov Nature of the Chemical Bond
13 Nov Polar Covalent and Ionic Bonds
(11.8,11.9)
15 Nov Intermolecular forces (11.10)
Hydrogen Bonds (11.11)
Metallic Bonds (11.11)
18 Nov Introduction to Spectroscopy
(13.1)
Selection Rules (13.2)
20 Nov Rotational Motion (13.3,13.4,13.5)
22 Nov Vibrational Motion (13.6,13.8)
25 Nov Coupling of Rotation and Vibration
(13.7)
Level spacings and the Boltzmann Distribution
27 Nov Exam
#4 (or lecture before -- class decides)
29 Nov Thanksgiving Break -- no class
02 Dec Selection Rules (13.7)
and Rovibrational Spectra
04 Dec Infrared and Raman Spectroscopy
(13.8,13.9)
06 Dec Electronic Spectroscopy
(14.1,14.2,14.3)
09 Dec Electronic Spectroscopy
(14.4,14.8)
11 Dec Other types of spectroscopy: XPS,
NMR (14.10)
13 Dec Spectroscopy and Computation