Course Overview: This course concentrates on learning to use 20th century developments in chemical theory, particularly the microscopic basis of structure and reactivity. We will begin with quantum mechanics as a description of structure (chapters 9-10). We will compare the theoretical results to structural evidence from measurements of molecular spectroscopy, diffraction, electrical properties and magnetic properties (chapters 12-14). We will finish by connecting these with results from statistical mechanics and thermodynamics to see how energy controls the paths of structural changes in chemical reactions (chapters 15-16).
You should be able to use these models to predict the behavior of matter. This means both estimating the range in which a measurement will fall and solving mathematical story problems, using approximations where valid. A summary list of the models and the types of systems to which you should be able to apply them is at the end of this syllabus.

Required Texts: Barrow, Physical Chemistry, 6th edition.
Barrante, Applied Mathematics for Physical Chemistry, 2nd edition.

Prerequisites: physical chemistry I; calculus III; and calculus-based physics II.

Lectures: 10:20-11:20 MWF (HS 101)

Office Hours: HS 446: 11:30-12:30 MW, 9:10-10:10 TTh, 8:30-9:30 F and by appointment. Phone: 424-1326. E-mail:

Reading Assignments: A study sheet will be distributed approximately weekly, listing the specific reading assignments.

Critical Thinking Exercises: Short assignments designed to help you learn how to use the textbook and other reference sources to prepare for class. For example, you might be asked to find definitions, compare two models and explain when it is appropriate to use each or work through some ‘what if’ calculations. Some in-class group worksheets will also be used.
In general a group of these will be handed out with the reading and homework assignments. Each exercise is to be finished for a specific class. The primary goal of these exercises is to help you prepare for class. A copy must be handed in at the beginning of the class for which they are assigned to get credit. They will be graded on a pass/fail basis and are worth 5 points each. Up to 50 points may be received for these exercises. A minimum of twelve such assignments will be given during the semester. You are encouraged to discuss these assignments with your classmates as well as the instructor.

Homework: Homework will be distributed with the reading and critical thinking assignments. Homework will consist of ungraded exercises to be worked and one graded problem (10 pts each) provided by the professor. Numerical answers will be provided for the exercises so that you may check your work. Treat the graded exercise as an open book, take-home quiz, which can be discussed with the instructor but not classmates. The lowest two scores will be dropped when calculating your grade. The goal of the graded homework is to provide a measure of individual student mastery of problems and skills that are too involved to be included on an exam. Please do not collaborate on these graded problems. You are encouraged to work together on all other homework and exercises.
Homework is due in class on the day specified when handed out. Late homework will be marked down 10%/day. No homework will be accepted after the detailed answer key has been put on the class web site, two days after the homework was due.

Exams: There will be three exams worth 100 points (plus 10 pts extra credit). The exams will be written to be completed in one hour, but you will be given unlimited time. The first two exams will be administered in the testing center and the last exam will administered in a classroom at a time to be arranged. The material requires that exams be cumulative, but primary emphasis will be on the chapters covered since the previous exam. The goal of this course is not to memorize formulas, but to learn how to use models to make predictions. You will be provided with an equation sheet for each exam consisting of the fundamental equations of each model. Additionally, you will be allowed to bring a 3” x 5” card of handwritten notes to the exam.

Critical Thinking Exercises/Worksheets:
10 x 5 pts =
50 pts

Graded Homework:
10 x 10 pts =
100 pts

3 x 100 pts =
300 pts


450 pts
The total points necessary to receive a particular grade are listed below. The instructor reserves the right to change the point total downward.
A: 405 AB: 383 B: 360 BC: 333 C: 311 CD: 284 D: 248 F: <248

Assessment of Learning: As part of the department's assessment of its majors program, evidence will be added to your portfolios to demonstrate your ability to:
1) describe the structure and composition of matter;
2) apply theoretical and mechanistic principles to the study of chemical systems employing both qualitative and quantitative approaches;
3) use theories of microscopic properties to explain macroscopic behavior;
4) explain the role of energy in determining the structure and reactivity of molecules;
5) use mathematical representations of physical phenomena.Class Schedule:
Homework Due*
I. Theory of Molecular Structure
9: Elements of Quantum Mechanics
1/31, 2/2, 2/4, 2/7, 2/9, 2/11, 2/14, 2/16, 2/18, 2/21
2/7, 2/14, 2/23
10: Quantum of Atoms and Diatomics
2/23, 2/25, 2/28
Computations for Large Molecules

12: Spectroscopy/Review

Exam 1 (9-10)
Monday, March 6, 2000

II. Experimental Molecular Structure
12: Spectroscopy
3/8, 3/10
Spring Break 3/11-3/19
12: Spectroscopy
3/20, 3/22
13: Diffraction
3/24, 3/27, 3/29
14: Electrical and Magnetic Properties
3/31, 4/3, 4/5
15: Kinetics/Review

Exam 2 (12-14)
Monday, April 10, 2000

III. Reaction Rates and Molecular Reaction Dynamics
15: Kinetics
4/12, 4/14, 4/17, 4/19,4/21
4/17, 4/24
16: Elementary Reactions
4/24, 4/26, 4/28, 5/1, 5/3, 5/5, 5/8
5/3, 5/10

Exam 3 (15-16 )
Friday, May 12, 2000

*The homework will generally be handed out during the first lecture on each chapter.

Additional Resources:
WEB RESOURCES: This syllabus, copies of homework assignments and answer keys will be available at the course web site. The course web site may be accessed by starting at the instructor's home page: Problem sets and answer keys will be password protected. The username for login into the protected web site is: p-chem II. The password will be supplied the first day of class.

TEXTS: The following books are on reserve in the Halsey Resource Center (HS-259). You may find it useful to see difficult concepts described a number of ways. Homework assignments will suggest sections of these texts to look at for additional help.

Atkins, Molecular Quantum Mechanics, QD462.A84. This text expands on the quantum mechanics discussed in the course text.

Atkins, Quanta. This is essentially a dictionary of quantum mechanical terms. You may find it useful because it explains the significance of most things with very little mathematics. A good way to get an overview.

Barrante, Applied Mathematics for Physical Chemistry QD455.3.M3 B37. A good review of chemical applications of graphing and calculus.

Karplus and Porter, Atoms & Molecules. This book is at a similar level to Barrow, but contains more details.

Jorgensen and Salem, The Organic Chemist’s Book of Orbitals, QC461.J68. This book has lots of nice electron density maps for the various orbitals of common molecules calculated using molecular orbital theory.

Warren, The Physical Basis of Chemistry, QD475.P47. This book has nice simplified, but accurate, descriptions of many of the quantum, spectroscopic and thermodynamic concepts we will discuss.

Be able to apply to
Quantum Mechanics
-Schrödinger equation
-Franck-Condon principle
Molecular and atomic structure
Molecular and atomic energy levels
Spectroscopy of gas phase molecules (electronic, vibrational, rotational and ro-vibronic)
Liquid phase spectroscopy (electronic, vibrational, NMR, ESR)
Spectroscopies (UV-Vis, Raman, IR, photoelectric, NMR, ESR)
-Bragg’s law
-Coulomb’s law
-Wierl equation
X-Ray (lattice spacing, indexing, volume/contents of unit cell, radii, lattice energies)
Electron scattering
Neutron scattering
Radial distribution functions
Electrical and Magnetic Properties of Molecules
-Coulomb’s law
-Capacitance/Dielectric Constant
-Magnetic susceptibility
Molar polarization
Dipole moments
Bond moments
Ionic character
Magnetic moments and polarizability
-Macroscopic (mechanistic)
--Collision Theory of Reaction Rates
--Collision Theory of Solution Reactions
--Transition State Theory
First order reactions
Mechanisms made of first and second order reactions
Unimolecular gas phase reactions
Michaelis-Menten (be aware of limited experimental conditions for applicability)
Surface processes
Potential energy surfaces
Modeling of simple reactions (liquid and gas phase)
Radiation processes (photochemical reactions, lasers, fluorescence)