Professor Maria C. Gelabert gelabertm@winthrop.edu Sims 314A, x4939
MWF 11:0012:15 (3 credit
hours) Office
Hours: M 12:301:30, TF 9:3010:30
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.
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.
Upon completion of
this course, students will demonstrate their mastery with the following problem solving skills:
Every class period will consist of student
homework questions, lecture and example problem solving.
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 8033233290, or accessibility@winthrop.edu.
Please inform me as early as possible, once you have your official notice of
accommodations from the OA.
“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.
Homework (23 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 halfhour
quizzes, consisting of 12 problems, will be administered; the lowest quiz
grade will be dropped (if you miss any quizzes for any reason, drop up to one).
Seven halfhour 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 closedbook and include formula sheet, fundamental constants and periodic
table. Percentages and minimum letter grades are below.
Quizzes (6) 25% 10090 A,
A–
Problem Sessions (7) 20% 8980 B+, B, B–
Midterm Exam 20% 7970 C+,
C, C–
Final Exam 25% 6960 D+,
D, D–
Highest Exam 10% ≤59 F
Seven halfhour Problem Sessions are dedicated to studentled problem presentations
on the board, where students can choose from any previous homework, quiz or
exam problem. Each student will present 12 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, stepbystep 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)
No makeup quizzes will be administered. Early or
makeup midterm exam will be considered for universitysanctioned 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 
9.19.5 
Classical physics, atomic structure,
photoelectric effect 
1/9 W 
9.67, 9.10 
Photoelectric effect, particlewave duality, deBroglie equation 
1/11 F 
9.811, 10.12 
Quantum theory, Bohr model, operators, wave
functions 
*1/14 M 
10.210.7 
Quiz 1 (material
through life and 1/7); uncertainty principle, Schrödinger equation, probability,
normalization, expectation value 
1/16 W 
10.710.10 
Procedures for finding wave functions, particle
in a box 
*1/18 F 
10.1010.13 
Problem Session
1; Tunneling, 3D particle in a box, degeneracy 
1/23 W 
18.718.8, 17.6 
Partition functions, translational partition
function 
*1/25 F 
11.111.4 
Quiz 2 (material
through 1/18); harmonic oscillator 
1/28 M 
11.4, 18.4 
Harmonic oscillator, vibrational partition
function 
1/30 W 
11.511.8 
Reduced mass, 2D
rigid rotors, angular momentum operator 
2/1 F 
11.911.11 
3D rigid rotor 
*2/4 M 
18.56 
Problem Session 2; rotational partition functions 
2/6 W 
11.11 
Hydrogen atom wavefunctions,
SternGerlach experiment, spin 
2/8 F 
12.112.5 
Spin orbitals, helium atom, Pauli principle, Slater
determinants, Aufbau principle 
Bonding – Qualitative Models, Approximations, Computational
Chemistry
2/11 M 
12.612.9 
Perturbation
theory, variational principle 
*2/13 W 
12.1012.11 
Quiz 3 (material through 2/6); linear
variation theory, BornOppenheimer 
2/15 F 
12.1212.13,
15.56 
LCAOMO theory,
molecular orbital theory, Hückel approximation 
2/18 M 
15.56, Hehre 
Hückel approximation, p systems, computational chemistry 
*2/20 W 
Hehre 
Problem Session 3; computational
chemistry 
2/22 F 
13.113.4 
Molecular symmetry – operators and point groups^{} 
2/25 M 
13.413.8 
Point groups, character
tables, group theory 
2/27 W 
13.713.9 
Group theory,
small molecule bonding 
Spectroscopy and Statistical Thermodynamics – Vibrational,
Rotational, Electronic
*3/1 F 
14.114.9 
Problem Session 4; transition
moment, selection rules, rotational spectroscopy 
3/4 M 

MIDTERM EXAM (material through
computational chemistry) 
3/6 W 
14.914.18 
Morse potential,
rovibrational spectroscopy, Raman spectroscopy 
3/8 F 
14.1314.18 
Symmetry and
vibrational/Raman spectroscopy 
*3/18 M 
14.1314.18, 18.3 
Quiz 4 (material through 3/6); symmetry and vibrational/Raman
spectroscopy, electronic partition
functions 
3/20 W 
15.115.9 
Atomic spectroscopy, term symbols, selection rules, molecular
spectroscopy 
3/22 F 
15.815.9 
Molecular spectroscopy 
*3/25 M 
15.1015.12 
Problem Session 5; absorption/emission spectroscopy 
3/27 W 
15.1015.12 
Einstein coefficients, line broadening, fluorescence/phosphorescence 
*3/29 F 
15.1015.12 
Quiz 5
(material through 3/22); stimulated
emission, lasers 
4/1 M 
21.121.6 
Lattices, symmetry, space groups, reciprocal space, Bragg equation 
*4/3 W 
21.9, Smart 
Problem Session
6; Bragg equation, Xray diffraction 
4/5 F 
21.9, Smart 
Closepacked structures, crystal structure, structure factors 
Materials and Solid State Chemistry
4/8 M 
21.9, Smart 
Band theory,
conduction, doping, pn 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 339394.
Smart, L.E. and Moore, E.A. Solid State Chemistry: An Introduction, 3^{rd}. ed.; Taylor
& Francis: New York, 2005; pp 155242, 293312, 355376. (chapters
4,5,8,11)