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CHM 3312 (revised 07/26/05

Physical Chemistry II CHM3312-syllabus-Fall-2005-v1.doc)

Fall 2005

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 1 project report @ 100 points 1 final exam @ 200 points Total = 200 points = 100 points = 200 points 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 F M 08/190/05 08/22/05 Lecture Topic Class organization Atoms HWFG#1 due Useful mathematics 2 Reference (McQuarrie)

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08/24/05

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IA. F M

Quantum Mechanics 08/26/05 08/29/05 Classical mechanics and experimental evidence Quantum mechanics 1; Postulates HWFG#2 due QM 2; Postulates and Eigenfunctions QM 3; Uncertainty Principle Labor Day (University closed) QM 4; Wave Functions HWFG#3 due QM 5; Translation QM 6; Tunneling QM 7; Vibration HWFG#4 due QM 8; Rotation Spec 1; Molecular spectroscopy: energies Spec 2; Molecular spectroscopy: selection rules HWFG#5 due Spec 3; Vibrational-rotational spectra Spec 4; Electronic- vibrational-rotational spectra Hour Exam #1 2, 3 1 4.1-3

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08/31/05 09/02/05 09/05/05 09/07/05

4.4-5 4.6, (3.8)

F M W

09/09/05 09/12/05 09/14/05

3 page 142 5.1-7

F M W

09/16/05 09/19/05 09/21/05

5.8-9, 6.1-3 13.1-6 13.11-13

F M W

09/23/05 09/26/05 09/28/05

13.3 13.6-7

II. F

Computational Chemistry 09/30/05 Computational chemistry; vocabulary 11.1-3 plus Spartan workbook Computational chemistry; tutorial 11.4-5 plus Spartan workbook

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10/03/05

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10/05/05

Computational chemistry Examples of use Computational chemistry Worked examples Computational chemistry Examples of use

Spartan workbook

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10/07/05

Spartan workbook

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10/10/05

Spartan workbook

Note: 11/23/05 Computational chemistry project reports [day before Thanksgiving]

IB. W F M

Quantum Mechanics 10/12/05 10/14/05 10/17/05 Atoms 1; Hydrogenic atoms Atoms 2; Orbitals and selection rules Atoms 3; Orbital approximations HWFG#6 due Atoms 4; Atomic term symbols and spectra Methods 1; Variational methods Methods 2; Perturbation methods HWFG#7 due NMR 1; Basics NMR 2; Splittings NMR 3; Fourier transform HWFG#8 due Molecules 1; Overview of bonding Molecules 2; Heitler-London solution of H2 Molecules 3; Valence bond theory HWFG#9 due Molecules 4; Molecular orbitals Molecules 5; Molecular orbitals-LCAO 6.1 6.4-6 8.3

W F M

10/19/05 10/21/05 10/24/05

8.4, 8.8-10 7.1-3 7.4

W F M

10/26/05 10/28/05 10/31/05

14.1-6 14.7-9 not in M&S

W F M

11/02/05 11/04/05 11/07/05

9.1-4 9.5-7 10.1-4

W F

11/09/05 11/11/05

9.8-12 9.13

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11/14/05

Molecules 6; Huckel theory HWFG#10 due Hour Exam #2

10.5-6

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11/16/05

F M W F M W

11/18/05 11/21/05 11/23/05 11/25/05 11/28/05 11/30/05

Spectroscopy of large molecules Spectroscopy of large molecules Computational chemistry project reports Thanksgiving holiday “Wrap it up” and departmental review Final Exam (Sec. 001) 8am-11am. (final exam covers material from all parts of course) .

15.1 15.2

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