ChE 475 – Physical Chemistry: Syllabus - Fall 2023
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Professor Christos Dimitrakopoulos, dimitrak@umass.edu
Google Scholar profile:
https://scholar.google.com/citations?user=_9ZuIhkAAAAJ&hl=en&oi=ao
Office: ELAB II room 101.
Office hours: Thursdays from 5:00 PM - 6:00 PM, starting on 9/14/2023.
Through Zoom (link will be provided in Moodle). Just join the Zoom link.
Office Hours and Etiquette: I am also available to answer questions by e-mail and
will do my best to answer your message within 48 hours. Please include the topic
of your concern in the subject of your email. You are encouraged to discuss any
course material, questions, or issues you may have. If you are not available during
my scheduled office hours, you may email me with a list of days/times when you
are available for an appointment and I will do my best to confirm a mutually
agreeable time to meet over Zoom. I am here to help you learn.
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Teaching Assistants:
Yachan Liu: yachanliu@umass.edu
Office hours: Wednesdays, from 2 - 3 PM at Goessmann 157C.
Baktha Kannadasan: bkannadasan@umass.edu
Office hours: Thursdays from 4:00 PM - 5:00 PM at Goessmann 259C.
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Lectures: Monday & Wednesday 4:00 – 5:15 PM; Integ. Learning Center S140
Due to medical reasons, students should keep a distance of several yards from Prof.
during lecture (when he has to remove his mask). Students should not occupy any seat
in the first row of seats in the classroom, and seat away from the ends of the
semicircular rows. Questions should be asked from their seat, without approaching the
pontium. Thanks for your cooperation and understanding.
Every third Wednesday, starting on 9/20/2023, the lecture will be held online over
Zoom. Three on line lectures in total for the Fall semester. Links for these online
lectures will be provided in Moodle.
This is necessary, due to medical reasons (side effects from my treatments are at a
maximum those Wednesdays, and even driving and walking moderate distances becomes
a problem, so I will lecture from home).
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Web Page: The course web page is in the UMass-Amherst Moodle system
https://umass.moonami.com/
For help with Moodle, go here:
http://www.oit.umass.edu/moodle
Physical Chemistry
Physical chemistry relies on thermodynamics and quantum theory, the two pillars of modern
physical science. Thermodynamics, focuses on the macroscopic, bulk properties of a system.
Quantum theory studies the individual particles (atoms, molecules, or ions) that constitute a
system. Thermodynamics and quantum theory are intimately connected, for the bulk properties
are determined and explained by quantum-mechanical (QM) effects. Junior Chemical
Engineering majors should have already taken two core courses in Thermodynamics. Thus, the
first pillar should have been adequately covered already. Chem-Eng 475 is devoted to the second
pillar, quantum theory and quantum chemistry. The following topics will be covered:
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Quantum Theory
o The emergence of quantum theory
o The dynamics of microscopic systems
o Translation
o Rotation
o Vibration
Atomic Structure
o Hydrogenic atoms
o Many-electron atoms
o Periodic trends of atomic properties
o Atomic spectroscopy
The Chemical Bond
o Valence bond theory
o Molecular orbital theory- homonuclear diatomics
o Molecular orbital theory- heteronuclear diatomics
o Molecular orbital theory- polyatomic molecules
Molecular Interactions (in brief)
o Electric properties of molecules
o Interactions between molecules
Molecular Spectroscopy
o General features of molecular spectroscopy
o Electronic spectroscopy
o The decay of excited states
Learning Objectives:
Learn how to:
Describe the experimental evidence responsible for the emergence of quantum theory.
Use the Schrödinger equation as the basis for describing the dynamics of microscopic systems.
Create simple models for the following modes of motion: Translation in a confined space;
Rotation in 2D and 3D; Vibration.
Use the concept of hydrogenic atoms as the basis for modeling one-electron systems.
Use the hydrogenic atom model to develop a model for many-electron atoms.
Explain the periodic trends of atomic properties (Periodic Table) based on the many-electron
atom model.
Describe and explain the concepts and rules of atomic spectroscopy.
Use the valence bond theory as an initial model for the chemical bond. Then, study the molecular
orbital theory and use it to describe bonding in homonuclear diatomic molecules, heteronuclear
diatomic molecules, and polyatomic molecules.
Describe the electric properties of molecules and the interactions between molecules.
Evaluate the general features of molecular spectroscopy by understanding the concepts of
electronic spectroscopy, and explaining the decay of excited states.
Technology
1) Laptop or tablet with webcam/microphone.
2) Web browser and internet.
3) Send/receive emails.
Required Textbook: Elements of Physical Chemistry, by Peter Atkins and Julio de Paula,
Oxford University Press, 7th Edition. ISBN: 9780198796701
Frequent Reference (not required to buy): PHYSICAL CHEMISTRY:
THERMODYNAMICS, STRUCTURE, AND CHANGE, 10th ed. Peter Atkins & Julio de Paula,
2014 W. H. FREEMAN & CO. This book contains rigorous mathematical derivation of all
formulas and concepts that we will be learning and using (often without spending time to derive
them in class).
Assignments & Grading
Homework will be assigned every week and will be due at the end of the day a week later.
Solutions will be posted on Moodle the following day. Assignments and exams will be graded on
a scale of 0-100. Final letter grades will be assigned after an overall grade from 0-100 has been
determined based on all the assignments and exams (weighted average).
Grading
As per University instructions, final letter grades will be determined from the overall numerical grade
using scale below. However, if the class average is far below the range corresponding to letter
grade B below, I may consider grading on a curve using the class average as B, in order to help
students receive a better grade. This is not a promise, but an option I may choose to use (I
usually do), depending on the class attitude and sincere efforts towards learning, and general
student good behavior during the course.
A 93-100
A- 90-92
B+ 87-89
B 83-86
B- 80-82
C+ 77-79
C 73-76
C- 70-72
D+ 67-69
D 60-66
F below 59
Historically, the curving method has proven to be much more advantageous for students as
compared to the university-wide grading scale.
Grading:
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Homework
20%
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Mid-term Exam
25%
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Quizes (at least weekly, using iClicker)
25%
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Final Exam
30%
Exam Schedule:
Exams will take place in person.
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Mid-Term Exam: Wednesday, 10/25/2023, 4:00-5:15 PM. Integ. Learning Center S140.
One page of handwritten notes allowed.
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Final Exam: Tuesday, 12/12/2023, 3:30PM - 5:30PM, Goessmann Lab Addition 152.
Two pages of handwritten notes allowed.
Exams: Students are not allowed to use any materials (e.g. textbooks, calculators) during the
exam other than the allowed notes sheet (see above). Make-up exams will be given only in the
event of a genuine emergency, such as illness. Requests for a make-up exam must be
accompanied by supporting documentation (e.g. doctor’s note).
Homework: Homework assignments are designed to help students comprehend the material
better and keep pace in the course. Late homework submission is not accepted.
Homework assignments will be distributed, collected, graded, and scored electronically through
Moodle. Solutions will be posted on Moodle soon after the electronic due date. This leaves very
little flexibility for accepting late homework assignments. In fact, late homework will be
accepted only under exceptional circumstances, and only if arrangements are made with the
instructor before the due date. Disability Services accommodations will be provided, but student
has to communicate a request for such accommodation to the instructor before the due date of the
assignment, for each occurrence.
Any homework that you submit must be your own, individual work. Submitting work that is not
entirely your own or allowing another student to copy your work (this includes the sharing of
computer files) is a violation of University regulations on academic honesty. While learning to
work in teams is important, learning to solve problems without significant assistance from others
is an essential part of your education and is essential for good exam grades.
Rules for homework submission:
All of the following rules of homework apply to this course, and failure to follow these
instructions may result in points being deducted.
• Each homework submission to Moodle should be a single file in pdf format. The pdf file may
be some combination of scanned handwritten pages (you may also use an app like CamScanner)
and printed output from a program (e.g. word processor, spreadsheet, or computational tool), but
it should be assembled into a single pdf file for submission.
• For each homework assignment, the cutoff date/time will be the same as the due date/time, so
there can be no “late submissions”. Technical difficulties that result in you not being able to
submit the homework on time are not a valid excuse for submitting the homework late. If a
student cannot access Moodle to submit homework in a timely manner (Moodle is down or there
are problems with Campus IT services), student can send the homework as an attachment to an
email addressed to the instructor and TA. This rarely happens, but we need to have a safety
solution in case it does.
• Homework should be neat and legible. TAs cannot grade what they cannot read.
• Please provide the following information on the first page of each homework solution set:
Your name, the course number, the date, and the homework number.
• Number each problem on each page and arrange the solutions in numerical order.
• Always show your work and/or describe your method of analysis. No credit will be given if
you write down only the final answer.
Make up work
There is no make-up work for missed assignments unless the student had an illness at the time of
an assignment, as proven by a doctor notice.
Class Attendance:
Attendance is required during scheduled class day/times for class sessions, exams, or other class
components. Students should abide by the University Attendance Policies. The instructor will
offer reasonable assistance to students with excused absences in making up missed work because
of religious observances, athletic events, field trips, health reasons, or other extenuating nonacademic reasons.
Course calendar
Date
Activity
Wednesday, September 6, 2023 In-person Lecture
Monday, September 11, 2023 In-person Lecture
Wednesday, September 13, 2023 In-person Lecture
Monday, September 18, 2023 In-person Lecture
Wednesday, September 20, 2023
Online Lecture
Monday, September 25, 2023 In-person Lecture
Wednesday, September 27, 2023 In-person Lecture
Monday, October 2, 2023 In-person Lecture
Wednesday, October 4, 2023 In-person Lecture
Tuesday, October 10, 2023 In-person Lecture
Wednesday, October 11, 2023
Online Lecture
Monday, October 16, 2023 In-person Lecture
Wednesday, October 18, 2023 In-person Lecture
Monday, October 23, 2023 In-person Lecture
Wednesday, October 25, 2023
Midterm Exam
Monday, October 30, 2023 In-person Lecture
Wednesday, November 1, 2023
Online Lecture
Monday, November 6, 2023 In-person Lecture
Wednesday, November 8, 2023 In-person Lecture
Monday, November 13, 2023 In-person Lecture
Wednesday, November 15, 2023 In-person Lecture
Monday, November 20, 2023 In-person Lecture
Monday, November 27, 2023 In-person Lecture
Wednesday, November 29, 2023 In-person Lecture
Monday, December 4, 2023 In-person Lecture
Wednesday, December 6, 2023 In-person Lecture
Tuesday, December 12, 2023
Final Exam
Inclusivity statement
The diversity of the participants in this course is a valuable source of ideas, problem solving
strategies, and engineering creativity.
If you feel that your contribution is not being valued or respected for any reason, please speak
with me privately.
If you wish to communicate anonymously, you may do so in writing, speak with Associate Dean
Paula Rees (rees@umass.edu, 413.545.6324, Marston 128b), or submit your concern through the
College or Engineering Climate Concerns and Suggestions on-line form
(tinyurl.com/UMassEngineerClimate).
We are all members of an academic community with a shared responsibility to cultivate a
climate where all students/individuals are valued and where both they and their ideas are treated
with respect.
Accommodation Statement
The University of Massachusetts Amherst is committed to providing an equal educational
opportunity for all students. If you have a documented physical, psychological, or learning
disability on file with Disability Services (DS), you may be eligible for reasonable academic
accommodations to help you succeed in this course. If you have a documented disability that
requires an accommodation, please notify me within the first two weeks of the semester so that
we may make appropriate arrangements. For further information, please visit Disability Services
(https://www.umass.edu/disability/)
Academic Honesty Statement
Since the integrity of the academic enterprise of any institution of higher education requires
honesty in scholarship and research, academic honesty is required of all students at the
University of Massachusetts Amherst. Academic dishonesty is prohibited in all programs of the
University. Academic dishonesty includes but is not limited to: cheating, fabrication, plagiarism,
and facilitating dishonesty. Appropriate sanctions may be imposed on any student who has
committed an act of academic dishonesty. Instructors should take reasonable steps to address
academic misconduct. Any person who has reason to believe that a student has committed
academic dishonesty should bring such information to the attention of the appropriate course
instructor as soon as possible. Instances of academic dishonesty not related to a specific course
should be brought to the attention of the appropriate department Head or Chair. Since students
are expected to be familiar with this policy and the commonly accepted standards of academic
integrity, ignorance of such standards is not normally sufficient evidence of lack of intent
(http://www.umass.edu/dean_students/codeofconduct/acadhonesty/).
Resources for students
Health and Wellbeing.
You are not alone at UMass – many people care about your wellbeing and many resources are
available to help you thrive and succeed. The College recognizes that coursework is challenging
and that classes are not the only demand in your life. Success in this course and the College of
Engineering depends heavily on your personal health and wellbeing. Recognize that while stress
is an expected part of the college experience, it can be compounded by unexpected setbacks or
life changes outside the classroom. Strive to reframe challenges as an unavoidable pathway to
success. Reflect on your role in taking care of yourself throughout the term, before the demands
of exams and projects reach their peak. Please feel free to reach out to me about any difficulty
you may be having that may affect your performance as soon as it occurs and before it becomes
too overwhelming.
You can learn about the confidential mental health services available on campus by calling the
Center for Counseling and Psychological Health (CCPH) by visiting their website at
umass.edu/counseling. They provide many resources beyond individual therapy. Check out some
of their great, free resources, including Togetherall and Welltrack. There are many other
resources on campus for students facing personal, financial or life challenges to find support,
stay in school, and graduate (https://www.umass.edu/studentlife/single-stop).
Within the College, you may reach out to myself, your academic advisor, the Office of Student
Affairs (http://engineering.umass.edu/current-students/academics-advising) or the Office of
Diversity, Equity, and Inclusion (engindiversity@umass.edu). I encourage you to contact support
services on campus that stand ready to assist you. Remember that as your instructor, I am here to
help you find the resources you need.
Center for Counseling and Psychological Health
The Center for Counseling and Psychological Health (CCPH) offers a community of care to
UMass Amherst students to help cope with stress or anxiety, find strategies to overcome
challenges, promote mental wellbeing, and succeed in college life and beyond.
https://www.umass.edu/counseling/
Hours: Monday – Friday, 8:30 a.m. – 4:30 p.m.
Phone: (413) 545-2337 | Address: Middlesex House. 24/7 emergency on-call services.
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https://www.umass.edu/titleix/
Building a safe and respectful learning environment
The Office of Equal Opportunity and Access is there to provide you with support, options, and
guidance. They promote an inclusive, equitable, and caring campus culture and oversee Title IX
policy and processes prohibiting sex-based discrimination in education.
Need immediate help? Call UMPD: 911 or (413) 545-2121
Not sure what to do? Just need to talk? Call the SASA Hotline (413) 545-0800. 24/7/365. Free &
Confidential
IT Support Center
Answers to your questions about computing and technology at UMass Amherst.
https://www.umass.edu/it/support
Ask an expert at the IT Service Desk.
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Email and Chat Support
8:30 a.m. - 10 p.m. Monday - Friday | 10 a.m. - 10 p.m. Saturday and Sunday
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Phone Support | 413-545-9400
8:30 a.m. - 5 p.m. Monday - Friday
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In-Person Support (Campus Center)
8:30 a.m. - 10 p.m. Monday - Friday
No appointment necessary.
Walk-ins and calls accepted until 15 minutes before closing.
Learning Resource Center (LRC)
LRC serves as the central undergraduate academic and undergraduate research support unit for
the University of Massachusetts Amherst (UMass Amherst). At UMass Amherst’s Learning
Resource Center (LRC), there are four different branches of academic support and undergraduate
research support available to students, including Peer Tutoring (drop in and by appointment),
Study Skills Tutoring, Supplemental Instruction (SI) and the Office of Undergraduate Research
and Studies (OURS). LRC and OURS services are built-in campus resources, and they are
completely free for UMass undergraduates. The different types of academic resources are
available to support students in achieving their iteration of academic success at UMass Amherst.
LRC and OURS departmental home is on the 10th floor of the W.E.B. DuBois Library! We took
forward to supporting your academic success this year and beyond!
https://www.umass.edu/lrc/
Hours
Mon. to Thu.
1:00 pm to 10:00 pm
Fri.
1:00 pm to 5:00 pm
Sat.
closed
Sun.
4:00 pm to 9:00 pm
Address
Room 1020, W.E.B. Du Bois Library, 154 Hicks Way, Amherst MA
Email
lrc@umass.edu
Telephone
+1 (413) 545-5334