CHEM408-001                                                       Physical Chemistry II                                                             Spring 2019

Professor Maria C. Gelabert                                    gelabertm@winthrop.edu                                                  Sims 314A, x4939

MWF 11:00-12:15 (3 credit hours)                                                                               Office Hours: M 12:30-1:30, TF 9:30-10:30

Required:      Physical Chemistry, Ball, Cengage Learning 2015. (print or eText)

Recommended:    Barrante, J.R. Applied Mathematics for Physical Chemistry, 3rd ed. Waveland Press: Long Grove, 2016.

                        Engel, T. Quantum Chemistry & Spectroscopy. Pearson: New York, 2013.

                        Smart, L.E. and Moore, E.A. Solid State Chemistry: An Introduction, 3rd. ed. Taylor & Francis: New York, 2005.

Course Synopsis and Goals

The second semester of physical chemistry contains the major topics of quantum mechanics, bonding, and spectroscopy, with statistical thermodynamics and an introduction to solid state chemistry. We will progress from atomic to molecular structure with different qualitative models and computational chemistry, then extend to rotational, vibrational and electronic spectroscopy. The solid state section will include bonding, defects, electronic behavior, optical properties and nanoscience.

Learning Outcomes

Upon completion of this course, students will demonstrate their mastery with the following problem solving skills:

Lecture

Every class period will consist of student homework questions, lecture and example problem solving.

Students with Disabilities/Need of Accommodations for Access

Winthrop University is committed to providing access to education. If you have a condition which may adversely impact your ability to access academics and/or campus life, and you require specific accommodations to complete this course, contact the Office of Accessibility (OA) at 803-323-3290, or accessibility@winthrop.edu. Please inform me as early as possible, once you have your official notice of accommodations from the OA.

Student Conduct Code

 “Responsibility for good conduct rests with students as adult individuals.” The student Academic Misconduct Policy is outlined in the “Student Conduct Code” in the online Student Handbook: http://www.winthrop.edu/uploadedFiles/studentconduct/StudentHandbook.pdf. Further, academic integrity is one of the tenets of the Winthrop University Dedication for Excellence.

Grading

Homework (2-3 problems) will be assigned after every lecture, to be completed, as much as possible, before the next lecture. Students are encouraged to ask specific homework questions at the beginning of every class. Keys will be made available no later than a week before the next quiz or exam. Six half-hour quizzes, consisting of 1-2 problems, will be administered; the lowest quiz grade will be dropped (if you miss any quizzes for any reason, drop up to one). Seven half-hour sessions are dedicated to problem sessions and quiz grade credit (described below). Midterm and final exams are scheduled; the cumulative final exam is scheduled for 8:00 am, Thursday, April 25. The highest exam score, between the midterm and final is worth an additional 10%. All quizzes and exams are closed-book and include formula sheet, fundamental constants and periodic table. Percentages and minimum letter grades are below.

Quizzes (6)                     25%                              100-90               A, A–

Problem Sessions (7)         20%                              89-80                 B+, B, B–

Midterm Exam                20%                              79-70                 C+, C, C–

Final Exam                     25%                              69-60                 D+, D, D–

Highest Exam                 10%                              ≤59                   F

Problem Sessions and Quiz Grade Credit

Seven half-hour Problem Sessions are dedicated to student-led problem presentations on the board, where students can choose from any previous homework, quiz or exam problem. Each student will present 1-2 times throughout the semester to earn up to 3 points; exam problems are worth 3, quiz problems 2, and homework problems 1. Once a problem is presented, it cannot be repeated by another student. Presentations must be distinct from any available homework keys. 15% is based on quality of content and presentation, and the remaining 5% is for attendance. If your contribution doesn’t add to 3 points at the end of term, each missing point deducts 5%.

Quiz Grade Credit is designed to improve your skills, review, and explain any previous errors for the quiz from the previous week. On problem session days, due at the beginning of class, you may also submit a single, corrected quiz problem for up to half of the missed points: a full, step-by-step methodology of the problem as well as an explanation of the original errors. Problem corrections must be submitted with the graded quiz. Full attendance at Problem Sessions is required for additional Quiz Credit. (You may “double dip” a presentation and quiz credit, but quiz credit must be submitted on paper with the original quiz)

Attendance, Make-up policy and Syllabus changes

No make-up quizzes will be administered. Early or make-up midterm exam will be considered for university-sanctioned absences or unanticipated absences accompanied by appropriate documentation. Regular attendance is expected and crucial for satisfactory performance in this course. Any syllabus changes will be to the lecture schedule only, communicated on Blackboard via a modified lecture schedule/homework file.


Lecture Schedule

(most lectures to 12:00, *starred dates to 12:15)

Quantum Mechanics and Statistical Thermodynamics – Particle in a Box, Harmonic Oscillator, Rigid Rotor, Hydrogen, Helium

1/7 M

9.1-9.5

Classical physics, atomic structure, photoelectric effect

1/9 W

9.6-7, 9.10

Photoelectric effect, particle-wave duality, deBroglie equation

1/11 F

9.8-11, 10.1-2

Quantum theory, Bohr model, operators, wave functions

*1/14 M

10.2-10.7

Quiz 1 (material through life and 1/7); uncertainty principle, Schrödinger equation, probability, normalization, expectation value

1/16 W

10.7-10.10

Procedures for finding wave functions, particle in a box

*1/18 F

10.10-10.13

Problem Session 1; Tunneling, 3D particle in a box, degeneracy

1/23 W

18.7-18.8, 17.6

Partition functions, translational partition function

*1/25 F

11.1-11.4

Quiz 2 (material through 1/18); harmonic oscillator

1/28 M

11.4, 18.4

Harmonic oscillator, vibrational partition function

1/30 W

11.5-11.8

Reduced mass, 2D rigid rotors, angular momentum operator

2/1 F

11.9-11.11

3D rigid rotor

*2/4 M

18.5-6

Problem Session 2; rotational partition functions

2/6 W

11.11

Hydrogen atom wavefunctions, Stern-Gerlach experiment, spin

2/8 F

12.1-12.5

Spin orbitals, helium atom, Pauli principle, Slater determinants, Aufbau principle

Bonding – Qualitative Models, Approximations, Computational Chemistry

2/11 M

12.6-12.9

Perturbation theory, variational principle

*2/13 W

12.10-12.11

Quiz 3 (material through 2/6); linear variation theory, Born-Oppenheimer

2/15 F

12.12-12.13, 15.5-6

LCAO-MO theory, molecular orbital theory, Hückel approximation

2/18 M

15.5-6, Hehre

Hückel approximation, p systems, computational chemistry

*2/20 W

Hehre

Problem Session 3; computational chemistry

2/22 F

13.1-13.4

Molecular symmetry – operators and point groups

2/25 M

13.4-13.8

Point groups, character tables, group theory

2/27 W

13.7-13.9

Group theory, small molecule bonding

Spectroscopy and Statistical Thermodynamics – Vibrational, Rotational, Electronic

*3/1 F

14.1-14.9

Problem Session 4; transition moment, selection rules, rotational spectroscopy

3/4 M

 

MIDTERM EXAM (material through computational chemistry)

3/6 W

14.9-14.18

Morse potential, rovibrational spectroscopy, Raman spectroscopy

3/8 F

14.13-14.18

Symmetry and vibrational/Raman spectroscopy

*3/18 M

14.13-14.18, 18.3

Quiz 4 (material through 3/6); symmetry and vibrational/Raman spectroscopy, electronic partition functions

3/20 W

15.1-15.9

Atomic spectroscopy, term symbols, selection rules, molecular spectroscopy

3/22 F

15.8-15.9

Molecular spectroscopy

*3/25 M

15.10-15.12

Problem Session 5; absorption/emission spectroscopy

3/27 W

15.10-15.12

Einstein coefficients, line broadening, fluorescence/phosphorescence

*3/29 F

15.10-15.12

Quiz 5 (material through 3/22); stimulated emission, lasers

4/1 M

21.1-21.6

Lattices, symmetry, space groups, reciprocal space, Bragg equation

*4/3 W

21.9, Smart

Problem Session 6; Bragg equation, X-ray diffraction

4/5 F

21.9, Smart

Close-packed structures, crystal structure, structure factors

Materials and Solid State Chemistry

4/8 M

21.9, Smart

Band theory, conduction, doping, p-n junction, extrinsic defects

4/10 W

Smart

Nonstoichiometry, superconductivity

4/12 F

 

Quiz 6 (material through 4/5)

*4/15 M

Smart

Ionic conductivity, solid electrolytes

4/17 W

Smart

Batteries, fuel cells

4/19 F

Smart

Nanotechnology

*4/22 M

Smart

Problem Session 7; Nanotechnology

8:00 4/25 R

 

FINAL EXAM (cumulative)

Hehre, W. Computational Chemistry, in Quantum Chemistry & Spectroscopy; Engel. T.; Pearson: New York, 2013; pp 339-394.

Smart, L.E. and Moore, E.A. Solid State Chemistry: An Introduction, 3rd. ed.; Taylor & Francis: New York, 2005; pp 155-242, 293-312, 355-376. (chapters 4,5,8,11)