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:
gutow@uwosh.edu
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.
Grading:
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Critical Thinking Exercises/Worksheets:
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10 x 5 pts =
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50 pts
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Graded Homework:
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10 x 10 pts =
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100 pts
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Exams:
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3 x 100 pts =
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300 pts
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Total:
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450 pts
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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:
Chapter
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Lectures
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Homework Due*
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I. Theory of Molecular Structure
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9: Elements of Quantum Mechanics
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1/31, 2/2, 2/4, 2/7, 2/9, 2/11, 2/14, 2/16, 2/18,
2/21
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2/7, 2/14, 2/23
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10: Quantum of Atoms and Diatomics
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2/23, 2/25, 2/28
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3/3
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Computations for Large Molecules
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3/1
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12: Spectroscopy/Review
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3/3
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Exam 1 (9-10)
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Monday, March 6, 2000
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II. Experimental Molecular Structure
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12: Spectroscopy
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3/8, 3/10
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3/10
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Spring Break 3/11-3/19
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12: Spectroscopy
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3/20, 3/22
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3/24
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13: Diffraction
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3/24, 3/27, 3/29
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3/31
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14: Electrical and Magnetic Properties
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3/31, 4/3, 4/5
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4/7
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15: Kinetics/Review
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4/7
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Exam 2 (12-14)
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Monday, April 10, 2000
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III. Reaction Rates and Molecular Reaction
Dynamics
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15: Kinetics
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4/12, 4/14, 4/17, 4/19,4/21
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4/17, 4/24
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16: Elementary Reactions
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4/24, 4/26, 4/28, 5/1, 5/3, 5/5, 5/8
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5/3, 5/10
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Review
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5/10
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Exam 3 (15-16 )
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Friday, May 12, 2000
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*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:
https://cms.gutow.uwosh.edu/gutow/. 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.
Model
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Be able to apply to
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Quantum Mechanics
-Schrödinger equation
-Born-Oppenheimer
-Rigid-Rotor
-Franck-Condon principle
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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)
Fluorescence
Spectroscopies (UV-Vis, Raman, IR, photoelectric, NMR,
ESR)
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Scattering
-Bragg’s law
-Coulomb’s law
-Wierl equation
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X-Ray (lattice spacing, indexing, volume/contents of unit
cell, radii, lattice energies)
Electron scattering
Neutron scattering
Radial distribution functions
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Electrical and Magnetic Properties of Molecules
-Coulomb’s law
-Capacitance/Dielectric Constant
-Magnetic susceptibility
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Molar polarization
Dipole moments
Bond moments
Ionic character
Magnetic moments and polarizability
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Kinetics
-Macroscopic (mechanistic)
-Microscopic
--Collision Theory of Reaction Rates
--Collision Theory of Solution Reactions
--Transition State Theory
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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)
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Transport
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Viscosity
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