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SYLLABUS
Chemistry 461
Physical Chemistry I—Fall 2005
10:00 AM – 10:50 AM, MWF
Brigham Young University-Idaho
Ryan S. DaBell, PhD
Professor of Chemistry
Office: Romney 285
Phone: 496-1933
Email: [email protected]
Office Hours: 11-12 AM daily, by appointment, or anytime you can find me inside the office when the door
is open.
DESCRIPTION: Chemistry 461 is the first semester in the Physical Chemistry sequence. We will study
quantum mechanics, spectroscopy, and computational chemistry this semester. We will detail the
following topics:
The failures of classical physics in describing the nature of the atom
Preliminary models prior to the advent of quantum mechanics
The wave equation and wave mechanics
The postulates of quantum mechanics
Basic quantum mechanical models: Particle-in-a-box, harmonic oscillator, and rigid rotor
The hydrogen atom
Multiple electron and multiple atom systems, and approximation methods
Computational chemistry
Atomic and molecular spectroscopy
In Chem 462, we will cover statistical mechanics, thermodynamics, and kinetics. Most of you will also be
taking Chem 464 next semester as well, where we will explore various laboratory experiments involving
physical chemistry topics.
PREREQUISITES: Math 113 or 215 and Chemistry 351. Math 316 or 341 and Physics 121 are
recommended. Math 119 is allowed as a prerequisite for chemistry education majors, but please be advised
that you may need to “catch up” in some deficient areas. Please see me as soon as possible if you took
Math 119.
REQUIRED TEXT: McQuarrie & Simon, "Physical Chemistry: A Molecular Approach", University
Science Books, ISBN 0-935702-99-7, 1997. We will cover most of Chapters 1-10 and 13 in the text.
STRONGLY RECOMMENDED: Cox, "Solutions to accompany Physical Chemistry: A Molecular
Approach", University Science Books, ISBN 0-935702-43-1, 1997. You don’t have to get this book, but
you really, really should. This book contains the solutions for all problems in the text, and is meant to
assist you when you feel you’re completely stuck. WARNING: You must be careful not to use the
solutions manual as a ‘crutch’. Work problems as completely as you can before referring to the solutions
manual. Or, as James says, “Be ye doers of the word, and not hearers only, deceiving your own selves.”
(James 1:22)
OTHER MATERIALS: You should have a scientific calculator. Only non-memory, non-graphical
calculators will be allowed in the Testing Center; you can pick up an inexpensive one at the Bookstore if
you don’t already have one.
We will do some projects using spreadsheet programs (Excel), MathCad, or some molecular modeling
software. I assume you learned the basics of spreadsheet operations somewhere previously. We’ll cover
other software as needed.
Lecture notes, assignment calendars, and schedules will be available online on my webpage (address given
in class). Please check this often for additional information.
GRADING:
Your final grade will be based on a weighted average of the total possible points available in the following
categories.
3 Midterm examinations (in the testing center)
60 %
Final Examination
20 %
Homework assignments 20 %
Your letter grade will be determined as follows:
A
100.0%-90.0 %
A-
89.9%-86.0%
B+
85.9%-82.0%
B
81.9% - 75.0%
B-
74.9%-72.0%
C+
71.9%-68.0%
C
67.9%-64.0%
C-
63.9%-60.0%
D+
59.9%-57.0%
D
56.9%-54.0%
D-
53.9%-50.0%
F
49.9%-0.0%
Your score will be rounded to the nearest 0.1 percent. I reserve the right to adjust the grading scale, but
any adjustments will be made down, not up (e.g., the cutoff for A will not be raised to 91, but might be
lowered depending on various factors). Grades will be posted periodically outside my office. Please email
me as soon as possible with either a 4 number code or a pseudonym you would like to use as your
designation.
EXAMS: Midterm examinations will be write-on tests covering concepts discussed in class, including
general descriptions, derivations, and application problems. They will be spaced about equally through the
semester. The final examination will be similar in construction to the midterm exams, but will be
comprehensive.
ASSIGNMENTS: Homework assignments will come from the textbook problems, and will be turned in
every 1-2 weeks. Completing and understanding the homework assignments is essential to performing
well on the exams and mastering a challenging subject such as this one.
Additionally, during the semester you will be expected to locate, study, and summarize three physical
chemistry research papers from the scientific literature written in the past 5 years. Summaries will be due
on September 23, 2005, October 21, 2005, and November 18, 2005.
Papers must be chosen from the following journals:
One from Journal of Physical Chemistry A (not B), available online at www.pubs.acs.org
One from Journal of Chemical Physics, available through interlibrary loan.
One from any other journal, where the article deals with some aspect of quantum mechanics or
spectroscopy. When in doubt, please run the abstract by me.
Your summary should include a complete citation (author/s, journal name, volume, pages, year), a brief
description of the paper’s main results in your own words, why you (not the authors) think the results are
important, and why you (not the authors) think the work is interesting (if you think the work is not
important/interesting, please explain this as well). Your summary should be no longer than one single
spaced page. The purpose of this exercise is 1) to expose you to current fields of research in physical
chemistry, 2) to become familiar with searching tools used to locate scientific articles, and 3) practice a
scientific writing style comparable to what you encounter in the journals. I do not expect you to have a
thorough grasp of the subject matter discussed in the paper(s); however, please come discuss it with me if
you need help getting at least a basic idea of what is being talked about.
LATE ASSIGNMENTS:
Late work is not only annoying, but it cultures a bad habit that future internship providers, employers,
graduate degree advisers, etc., loathe. The following policy will be in effect for late homework
assignments (including weekly assignments and paper summaries):
1-3 days late
10 % deduction
4-7 days late
20 % deduction
7-14 days late
40 % deduction
ABSOLUTELY NO WORK will be accepted if it is more than 14 days late. Work is considered late if
it is turned in after the beginning of class on the due date.
SEMINAR SERIES: You have the opportunity to gain up to 2 % extra credit by attending the Chemistry
department seminar series lectures. These presentations are made by experts in all fields of chemistry at
regional universities and other institutions. Credit is earned by attending the lecture and placing your name
on a sign up sheet. In addition, several chemistry majors will be presenting seminars on their internship
experiences over the summer. For these seminars, you will be expected to fill out an evaluation form to
provide some peer-review feedback. Points are awarded according to the following formula
n
pts   (2 j  1)
j 1
Where n = the number of seminars attended. So, the more seminars you attend, the more points you will
receive for each successive seminar.
HELP SESSIONS:
Periodically, I will hold a help session at a time and place to be determined. You are not required to attend
these sessions, and no new information you are directly responsible for will be discussed. But I will go
over some information on those days that may help you understand other information. For instance, we
may review concepts of differential equations that may help in understanding the wave equation, or we may
just work some problems.
Honor Code
“The just man walketh in his integrity…” (Prov. 20:7) All aspects of the BYU-Idaho Honor Code will be
observed in class. After taking an exam, do not discuss any aspect of the exam with other students
until the exam has closed.
Preventing Sexual Harassment
Title IX of the Education Amendments of 1972 prohibits sex discrimination against any participant in an
educational program or activity that receives federal funds, including Federal loans or grants. Title IX also
covers student-to-student sexual harassment. If you encounter unlawful sexual harassment or gender-based
discrimination, please contact the Personnel Office (496-1130).
Students with Disabilities
Brigham Young University-Idaho is committed to providing a working and learning atmosphere that
reasonably accommodates qualified persons with disabilities. If you have any disability that may impair
your ability to complete this course successfully, please contact the Services for Students with Disabilities
Office (496-1158). Reasonable academic accommodations are reviewed for all students who have
qualified, documented disabilities. Services are coordinated with the student and instructor by this office.
If you need assistance or if you feel you have been unlawfully discriminated against on the basis of
disability, you may seek resolution through established grievance policy and procedures through the
Personnel Office (496-1130).
Retake Classes (From the University Catalog)
Retake classes replace the credit and grade of a previously completed equivalent course. The most recent
completed course is calculated into the GPA and earned credits. Previous courses remain on the transcript
and are designated as retake classes.
Students are allowed a maximum of four retakes during their BYU-Idaho study, regardless of whether it is
a retake of a class with an awarded grade or a “withdrawal." Exceptions are considered on a case-by-case
basis. Petitions are available at the Registrar’s Office. Retakes occur when retaking BYU-Idaho classes
previously completed at this University, or retaking a class at BYU-Idaho previously completed at another
institution which has been determined to be an equivalent course by the applicable academic department.
Retake of BYU-Idaho classes at another institution is not recognized as a retake unless approved by the
Exceptions to University Policy Committee.
Students who transfer must recognize that a transfer institution may not accept the retake class per this
definition.
About the instructor:
I started right here at BYU-I (Ricks), graduating in 1993 with an associates degree. I received my
bachelor’s degree at Boise State University in Idaho, and my PhD in chemistry at the University of Utah.
Prior to coming here, I worked at the National Institute of Standards and Technology in Gaithersburg, MD,
and Battelle as a research scientist studying environmental applications of microwave spectroscopy.
My wife’s name is KyoungHwa (Ricks ’94), and we have four children, including two sets of twins.
PHILOSOPHY:
“Chemistry is the science of the behavior of aggregates of atoms and molecules and as such underlies all
the material sciences. Studying it, we conclude that chemical laws follow from wave mechanics and the
coulomb law of attraction between electrons and positively charged nuclei. Learning this and
implementing it is science. The existence of such amazing unity and simplicity of design brings a sense of
awe inspired only by an artistic masterpiece. With this comes once again an acute awareness of the Master
Designer.” – Dr. Henry Eyring , “The Faith of a Scientist”