Professor Maria C. Gelabert gelabertm@winthrop.edu
Sims
314A, x4939
MWF 11:0012:15 (3 credit hours) Office
Hours: M 12, TW 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 continuation of 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 branch into 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:
á
Identification of specific physical chemistry
topics and applicable mathematics;
á
Ability to use and carry mathematics forward for
problem solving;
á
Critical assimilation of simple problem solving
to handle more complex tasks.
Every class period will consist of student homework
questions, lecture and example problem solving.
Homework
(23 problems) will be assigned after every lecture and keys will be made
available no later than a week before the next exam. Students are encouraged to
ask specific homework questions at the beginning of every class. Eight
quizzes, each consisting of a single problem, will be administered at the
beginning of class; the lowest two quiz grades will be dropped (if you miss any
quizzes for any reason, drop up to two). Four quiz days are dedicated to
studentvolunteered problem sessions. Four exams will be administered along
with a cumulative final exam scheduled for 8:00 am, Thursday, April 26. The
highest exam score (including the final) will count an additional 15%. All
quizzes and exams are closedbook and include formula sheet, fundamental
constants and periodic table. Percentages and minimum letter grades are below.
Quizzes (8) 20% 10090 A, A–
Exams (4) 45% 8980 B+, B,
B–
Final Exam 20% 7970 C+, C,
C–
Highest Exam 15% 6960 D+, D,
D–
²59 F
No makeup exams will be administered. Early exams will
be considered for universitysanctioned absences. For unanticipated absences
accompanied by appropriate documentation, I will consider dropping 1 exam
score. Regular attendance is expected and crucial for satisfactory performance
in this course. Any syllabus changes will be to the lecture schedule only, and
communicated on Blackboard via a modified lecture schedule/homework file.
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 8033233290, or, accessibility@winthrop.edu. Please inform me as early as possible, once you
have your official notice of accommodations from the Office of Accessibility.
As noted in the Student Conduct Code: ÒResponsibility for
good conduct rests with students as adult individuals.Ó 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.
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
1/8 M 
9.19.5 
Classical physics, atomic structure,
photoelectric effect 
1/10 W 
9.67, 9.10 
Photoelectric effect, particlewave duality,
deBroglie equation 
1/12 F 
9.811,10.12 
Quantum theory, Bohr model, operators, wave
functions 
1/17 W 
10.210.8 
Uncertainty principle, Schršdinger equation,
probability, normalization, expectation value, procedures for finding wave
functions 
*1/19 F 
10.810.10 
Quiz 1; Particle in a
box 
1/22 M 
10.1010.13 
Tunneling, 3D particle in a box, degeneracy 
1/24 W 
18.718.8, 17.6, 11.111.4 
Partition functions, translational partition
function, harmonic oscillator 
*1/26 F 

Quiz 2 and
Problem Session 1 
1/29 M 
11.4,
18.4 
Harmonic
oscillator, vibrational partition function 
1/31 W 
11.511.8 
Reduced
mass, 2D rigid rotors, angular momentum operator 
2/2 F 

EXAM I (Content through 1/26) 
2/5 M 
11.911.11 
3D
rigid rotor 
2/7 W 
18.56,
11.11 
Rotational
partition functions, hydrogen atom wavefunctions 
2/9 F 
12.112.4 
SternGerlach
experiment, spin, helium atom, spin orbitals, Pauli principle 
2/12 M 
12.412.5 
Slater
determinants, Aufbau principle 
Bonding – Qualitative Models,
Approximations, Computational Chemistry
2/14 W 
12.612.9 
Perturbation theory, variational principle 
2/16 F 
12.1012.11 
Linear variation theory, BornOppenheimer, LCAOMO theory 
*2/19 M 
12.1212.13, 15.56 
Quiz 3; Molecular orbital theory, HŸckel approximation, p systems 
2/21 W 
Hehre 
Computational chemistry 
2/23 F 

EXAM II (Content through 2/16)^{} 
2/26 M 
13.113.4 
Molecular symmetry – operators and point
groups 
2/28 W 
13.513.9 
Character tables, group theory, small molecule
bonding 
*3/2 F 

Quiz 4 and
Problem Session 2 
Spectroscopy and Statistical
Thermodynamics – Vibrational, Rotational, Electronic
3/5 M 
14.114.12 
Transition moment, selection rules, pure
rotational spectroscopy, Morse 
3/7 W 
14.1314.18 
Rovibrational spectroscopy, Raman spectroscopy 
*3/9 F 
14.1314.18 
Quiz 5; Symmetry and
vibrational/Raman spectroscopy 
3/19 M 
18.3,
15.115.4 
Electronic
partition functions, atomic spectroscopy, term symbols 
3/21 W 
15.515.9 
Selection
rules, diatomic molecular spectroscopy, absorption/emission 
3/23 F 

EXAM III (Content through 3/9) 
3/26 M 
15.1015.12 
Absorption/emission,
Einstein coefficients 
3/28 W 
15.1015.12 
Line
broadening, fluorescence/phosphorescence, stimulated emission, lasers 
*3/30 F 

Quiz 6 and Problem Session 3 
4/2 M 
21.121.6 
Lattices,
symmetry, space groups, reciprocal space, Bragg equation 
4/4 W 
21.9,
Smart 
Bragg
equation, Xray diffraction, closepacked structures 
*4/6 F 
21.9,
Smart 
Quiz 7; Crystal structure,
structure factors 
Materials and Solid State Chemistry
4/9 M 
21.9, Smart 
Band theory, conduction, doping, pn junction,
extrinsic defects 
4/11 W

Smart 
Nonstoichiometry, superconductivity 
4/13 F 

EXAM IV (Content
through 4/6) 
4/16 M 
Smart 
Ionic conductivity, solid electrolytes 
4/18 W 
Smart 
Solid electrolytes, batteries, fuel cells 
*4/20 F 

Quiz 8 and
Problem Session 4 
4/23 M 
Smart 
Nanotechnology 
8:00 4/26 R 

FINAL EXAM 
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)