CHM 3312 Physical Chemistry II Fall 2005

(revised 07/26/05 CHM3312-syllabus-Fall-2005-v1.doc)

CATALOG DESCRIPTION

CHM 3312 Physical Chemistry II (3 semester hours) Fundamental microscopic

properties of matter and radiation are discussed. A core of topics including quantum
chemistry, atomic and molecular structure and spectroscopy, and statistical mechanics is
supplemented with topics germane to the wide variety of students taking physical
chemistry. Such additional topics might include nuclear magnetic resonance, symmetry,
photochemistry, crystals, or macromolecules. Prerequisite: CHM 3411 or consent of
instructor. (3-0) Y

INSTRUCTOR

Dr. Lynn A. Melton

melton@utdallas.edu
BE3.322 (972) 883-2913

Lecture: MWF 9:00-9:50 (Sec. 001) BE3.102

OFFICE HOURS: Monday afternoon 1:00-2:00 pm, by appointment, or come by the

office

OBJECTIVES :

• Understanding of atomic/molecular structure and spectroscopy through

an introduction to quantum mechanics;
• Use of spectroscopy for understanding molecular structure;
• Understanding and use of computational chemistry application
programs

TEXT(S) Physical Chemistry: A Molecular Approach, Donald A. McQuarrie and

John D. Simon (required)

Problems and Solutions to Accompany McQuarrie and Simon's Physical

Chemistry: A Molecular Approach, Heather Cox (University Science
Books, Inc.,). ISBN 0-935702-43-1, 955 pages, paper
This manual is designed to complement McQuarrie and Simon's new
Physical Chemistry: A Molecular Approach by providing a detailed
solution for every one of the more than 1400 problems found in the text.
The instructor neither recommends nor requires that students
purchase this solutions manual.

Other course materials may be recommended or required.

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COMPUTER USE

BlackBoard will be used routinely for announcements, posting of course

materials, etc. Further instruction will be provided on how to use this tool.

Use of standard computational programs, such as EXCEL and commercial

computational chemistry applications will likely be required. Contact the
instructor early in the course if assistance is needed.

GRADING The course grade will be based on two in-class exams, a project report
(computational chemistry), and a final exam. However, as described in
the following paragraphs, homework submitted for grading may also
affect the grading.

Homework

The instructor will designate certain problems in the textbook as

"particularly relevant to the concept" (PRC). Students are strongly
advised to make sure that they are able to do these problems; since they
are substantial clues to what the instructor thinks is important, and similar
approaches and concepts are likely to appear on the exams. However, the
PRC problems will not be accepted for grading. Additional homework
problems, designated HWFG (HomeWork For Grading) will be assigned
(probably 10 over the whole course), and students have the option of
whether to submit these problems for grading. In this class, students are
encouraged to work together on the homework, with the understanding
that anyone turning in a problem for grading has mastered all the concepts
in the problem (rather than just copying someone else's work). Homework
will not be accepted for grading if it is submitted more than seven days
after the stated due date. If a student chooses to submit homework for
grading, the cumulative homework percentage grade multiplied by
1.25 may, at the student’s option, replace the score on one of the in
class exams .

Exams

Except in extraordinary circumstances, make-up exams will not be

given. The points for a missed exam will be added to the points
available on subsequent exam(s).

Each student may bring a single 5” x 8” card, with any material hand
written on the card, to each exam. Photoreductio n or other methods
of increasing the density of material on the card are forbidden.
Therefore, in preparation for the exams, students should understand
that simple memorization will be of little value. The exams are much

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 more likely to emphasize reasoning and problem solving skills
than memorization.

Overall grading

2 hour exams @ 100 points = 200 points

1 project report @ 100 points = 100 points
1 final exam @ 200 points = 200 points

Total 500 points

DROP DEADLINES 9/22/05, 10/20/05; see Fall 2005 Academic Calendar.

ACADEMIC DISHONESTY

“The faculty expects from its students a high level of responsibility and academic
honesty. Because the value of an academic degree depends upon the absolute integrity of
the work done by the student for that degree, it is imperative that a student demonstrate a
high standard of individual honor in his or her scholastic work.

Scholastic dishonesty includes, but is not limited to, statements, acts or omissions
related to applications for enrollment or the award of a degree, and/or the submission as
one’s own work of material that is not one’s own. As a general rule, scholastic
dishonesty involves one of the following acts: cheating, plagiarism, collusion and/or
falsifying academic records. Students suspected of academic dishonesty are subject to
disciplinary proceedings.”

LECTURE SCHEDULE

(The dates, order of presentation and topical coverage are subject to change. The
correspondence between the material covered and the sections in the text is approximate.)

Date Lecture Topic Reference

(McQuarrie)
F 08/190/05 Class organization

M 08/22/05 Atoms
HWFG#1 due

W 08/24/05 Useful mathematics 2

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IA. Quantum Mechanics

F 08/26/05 Classical mechanics and experimental evidence 1

M 08/29/05 Quantum mechanics 1; Postulates 4.1-3

HWFG#2 due

W 08/31/05 QM 2; Postulates and Eigenfunctions 4.4-5

F 09/02/05 QM 3; Uncertainty Principle 4.6, (3.8)

M 09/05/05 Labor Day (University closed)

W 09/07/05 QM 4; Wave Functions 2, 3

HWFG#3 due

F 09/09/05 QM 5; Translation 3

M 09/12/05 QM 6; Tunneling page 142

W 09/14/05 QM 7; Vibration 5.1-7

HWFG#4 due

F 09/16/05 QM 8; Rotation 5.8-9, 6.1-3

M 09/19/05 Spec 1; Molecular spectroscopy: energies 13.1-6

W 09/21/05 Spec 2; Molecular spectroscopy: selection rules 13.11-13

HWFG#5 due

F 09/23/05 Spec 3; Vibrational-rotational spectra 13.3

M 09/26/05 Spec 4; Electronic- vibrational-rotational spectra 13.6-7

W 09/28/05 Hour Exam #1

II. Computational Chemistry

F 09/30/05 Computational chemistry; vocabulary 11.1-3

plus Spartan workbook

M 10/03/05 Computational chemistry; tutorial 11.4-5

plus Spartan workbook

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W 10/05/05 Computational chemistry Spartan workbook
Examples of use

F 10/07/05 Computational chemistry Spartan workbook

Worked examples

M 10/10/05 Computational chemistry Spartan workbook

Examples of use

Note: 11/23/05 Computational chemistry project reports

[day before Thanksgiving]

IB. Quantum Mechanics

W 10/12/05 Atoms 1; Hydrogenic atoms 6.1

F 10/14/05 Atoms 2; Orbitals and selection rules 6.4-6

M 10/17/05 Atoms 3; Orbital approximations 8.3

HWFG#6 due

W 10/19/05 Atoms 4; Atomic term symbols and spectra 8.4, 8.8-10

F 10/21/05 Methods 1; Variational methods 7.1-3

M 10/24/05 Methods 2; Perturbation methods 7.4

HWFG#7 due

W 10/26/05 NMR 1; Basics 14.1-6

F 10/28/05 NMR 2; Splittings 14.7-9

M 10/31/05 NMR 3; Fourier transform not in M&S

HWFG#8 due

W 11/02/05 Molecules 1; Overview of bonding 9.1-4

F 11/04/05 Molecules 2; Heitler-London solution of H2 9.5-7

M 11/07/05 Molecules 3; Valence bond theory 10.1-4

HWFG#9 due

W 11/09/05 Molecules 4; Molecular orbitals 9.8-12

F 11/11/05 Molecules 5; Molecular orbitals-LCAO 9.13

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M 11/14/05 Molecules 6; Huckel theory 10.5-6
HWFG#10 due

W 11/16/05 Hour Exam #2

F 11/18/05 Spectroscopy of large molecules 15.1

M 11/21/05 Spectroscopy of large molecules 15.2

W 11/23/05 Computational chemistry project reports

F 11/25/05 Thanksgiving holiday

M 11/28/05 “Wrap it up” and departmental review

W 11/30/05 Final Exam (Sec. 001) 8am-11am.

(final exam covers material from all parts of course)
.