CEM 881: Atomic and Molecular Structure – Fall 2014
CEM 881: Atomic and Molecular Structure develops the familiar descriptions of atomic structure and chemical bonding derived from the time-independent Schršdinger equation starting from the postulates of quantum mechanics and model problems. Molecular spectroscopy is introduced in this course as the experimental evidence for the validity of the models developed from quantum mechanics. This course lies at the intersection of chemistry, physics, and mathematics. Consequently, it provides an outstanding opportunity for integration of concepts from previous courses.
CEM 881 is intended to introduce graduate students who have a limited background in quantum chemistry to the application of quantum mechanics to chemical systems. This course will focus on interpretation of the physical significance of the wave functions and energy levels derived by solving the time-independent Schršdinger equation. Connections to energy level differences measured experimentally by molecular spectroscopy will be considered.
Catalog description: Postulates of quantum mechanics, analytical solutions of the Schršdinger equation, theoretical descriptions of chemical bonding, spectroscopy.
A complete outline of course topics is provided on the course calendar, which is available in Desire2Learn (D2L) (https://d2l.msu.edu).
One year of general chemistry, one year of physics, and multivariable calculus.
Students who have not satisfied the prerequisites should consult with the instructor before finalizing their course enrollment.
Prof. Lynmarie A. Posey; email: poseyl@msu.edu
office: 61 Chemistry; phone: 517-355-9715 ext. 210
Office hours: Tu 3–4 PM, W 3:30–4:30 PM, F 11:30 AM–12:30 PM, and other times by appointment. Any changes to Dr. PoseyÕs office hour schedule will be announced in advance.
N.B.: When sending
email, please use your MSU email account and include ÒCEM 881Ó in the subject
line.
Lecture: MWF, 10:20–11:10 AM, 101 Biochemistry
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September 10 (W) |
Quiz #1 |
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September 22 (M) |
Last day to drop with refund |
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September 24 (W) |
Quiz #2 |
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October 3 (F) |
Test #1 |
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October 15 (W) |
Quiz #3 |
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October 15 (W) |
Last day to drop with no grade reported |
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October 29 (W) |
Quiz #4 |
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November 7 (F) |
Test #2 |
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November 19 (W) |
Quiz #5 |
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November 26 (W) |
Bonus Quiz |
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December 11 (Th), 10 AM–12 PM |
Final Exam |
The complete course calendar is posted as a PDF file on D2L. It includes a tentative schedule for the coverage of topics in class and the associated reading assignments. Test and quiz dates are fixed.
Course announcements will be posted as ÒNewsÓ in D2L. Reminders of tests, quizzes, and homework due dates will appear on the D2L Calendar.
á Students will learn to apply concepts from physics and methods from mathematics to derive and understand the properties of chemical systems that arise from quantum mechanical models for the structure of atoms and molecules.
By the end of this course you will
á be able to explain how quantum mechanical systems differ from classical systems.
á be familiar with the experimental evidence for the shortcomings of classical mechanics that led to the development of quantum mechanics.
á be able to write the time-independent Schršdinger equation for systems given the potential energy.
á know how to apply methods from differential equations to solve the time-independent Schršdinger equation for model systems.
á be able to apply approximation methods to obtain energies and wave functions for quantum mechanical systems where the time-independent Schršdinger equation does not have an exact solution.
á understand the origin of models used to describe the structure of atoms and molecules.
á understand and be able to explain the origin of quantized energy levels.
á be able to articulate what the energies and wave functions derived from solving the time-independent Schršdinger equation tell us about the corresponding physical systems.
á understand the relationship between the energy levels obtained as solutions to the time-independent Schršdinger equation and measurements made using spectroscopic methods.
á be able to use spectroscopic measurements as supporting evidence for the validity of models and in some cases their shortcomings.
You will gain experience
á applying quantitative reasoning and problem-solving skills with quantum chemistry as a context.
á formulating arguments based on evidence to support claims.
á presenting written and mathematical arguments to support a response.
Specific learning objectives associated with each class will be provided with the lecture slides, which will be posted after class in Desire2Learn. In addition, each homework problem set will include a list of associated learning objectives. Taken together, the learning objectives detail what you should know, understand, and be able to do. As such, they can be used as a study guide when preparing for quizzes, tests and the final exam.
I will serve as your coach and guide as you learn to apply quantum mechanics to chemical problems. As your coach, I am responsible for setting up your training program in quantum chemistry. Constructing knowledge is analogous to building muscle memory in sports; it doesnÕt happen without practice and repetition. You cannot learn this material by simply watching; you must actively participate and engage with the material. This course will follow the motto Òless talking from the front of the room, more doing all around.Ó
Physical Chemistry: A Molecular Approach, D. A. McQuarrie and J. D. Simon (University Science Books: Sausalito, CA, 1997), 1st edition, 3rd printing or later. (ISBN: 978-0-935702-99-6)
Carbonless lab notebook
Scientific calculator
The detailed course calendar, learning objectives, annotated lecture slides, homework assignments, course announcements, equation sheets, answer keysÉ will be published in the Desire2Learn course management system (https://d2l.msu.edu). Assistance with Desire2Learn is available 24/7 through MSU Distance Learning Services (aka. the Help Desk) at (517) 355-2345 or (800) 500-1554.
MSU prohibits students from commercializing their notes of lectures and University-provided class materials without the written consent of the instructor. The instructor and Michigan State University retain copyright to all materials provided in this course unless otherwise indicated.
The grade in this course will be based on the average of two 50-minute tests (36%), the average of the four highest quiz scores (14%), homework (10%), in-class work (10%), discussion of a paper from the literature (10%), and the final exam (20%).
The following fixed grading scale will be used to determine semester grades:
³ 88% 4.0; ³ 78% 3.5; ³ 68% 3.0; ³ 58% 2.5; ³ 48% 2.0; < 38% 1.5
Prof. Posey reserves the right to adjust the grading scale downward, but in no circumstances will the criterion for any grade be raised. Everyone has an opportunity to earn a grade of 4.0 in this course.
The deadline for reporting grade discrepancies and requesting regrades is 5 PM on Friday, December 5, 2014.
Two 50-minute, closed-book tests will be given during class. Complicated equations and other useful information (physical constants, integralsÉ) will be provided. Sample equation sheets will be published in advance. Make-up tests will not be given. In the event of a missed test with an excused absence approved in advance, the weighted final exam score will be used in place of one missed test. For a second missed test, a grade of zero will be used in computing the semester grade.
Research in cognition has shown that frequent summative assessments with timely feedback improve learning. Consequently, five 20-minute quizzes and a bonus quiz will be given during the semester in addition to the two 50-minute tests. Time will be set aside for discussion of the questions immediately following each quiz. The four highest quiz scores will be used in determining the quiz average. No make-up quizzes will be given. A sixth bonus quiz will be offered during Thanksgiving week to give students who are dissatisfied with their quiz average an additional opportunity to raise this average.
A comprehensive final exam will be given on Thursday, December 11, 2014, 10 AM–12 PM. Students are reminded of the following University policy outlined in Academic Programs:
A student absent from a final examination without a satisfactory explanation will receive a grade of 0.0 on the numerical system, NC on the CR-NC system, or N in the case of a course authorized for grading on the P-N system. Students unable to take a final examination because of illness or other reason over which they have no control should notify the associate deans of their colleges immediately.
Homework will be assigned on a weekly basis to coincide with the coverage of material in class and reading assignments. Homework problem sets can be downloaded from Desire2Learn and will be due on Fridays at the beginning of class. Late homework submitted by 5 PM on Friday will be subject to a 20% penalty. Otherwise, no late homework will be accepted. Please write your name on every sheet that you submit. Homework problem sets should be held together with a staple, standard paper clip, or binder clip. Staples are preferred.
Problem sets are a learning tool intended to give you practice applying the methods of quantum chemistry and to help you identify issues with your understanding of concepts. You may discuss homework problems with your classmates, but the homework that you turn in for credit must be your own work, not simply answers copied from someone else. Homework will be spot-graded with 2 problems graded in detail and the remainder of the problem set graded for completeness. It is your responsibility to compare your work to the problem solutions posted in Desire2Learn.
Several times during the semester, you will be asked to complete activities in the beSocratic online assessment system. You should work on these activities independently without consulting resources such as your textbook or the web. Credit will be given for completion of these activities with your best effort rather than for the correctness of responses.
You will be asked to do work during most class meetings. This work provides formative assessment for both student and instructor and is intended to help you begin to synthesize and apply course content knowledge. With the exception of the first class meeting, this work must be done in a carbonless lab notebook. In order to receive credit, you must submit your work on either the duplicate sheet (usually blue or yellow) or the original sheet from the carbonless notebook. Submit whichever sheet has perforations to allow for easy removal from the notebook. In many instances, you will first be asked to work independently before engaging in discussion with members of your group. You are expected to make an effort on your own in order to receive credit for participation. You must be present in class to earn credit for these activities. Participate with an open mind.
Completion of 75% of the in-class work will earn full credit for in-class work, which counts for 10% of the semester grade. Students who complete ³85% of the in-class work will receive a bonus of 1% applied directly to their semester average. No make-up opportunities will be provided for missed in-class work, which is designed to have maximum learning value within the context of what is happening during a particular class.
You will select a paper published in 2006 or later that reports research related to quantum chemistry and/or molecular spectroscopy from one of the following journals: Science, Nature, Journal of the American Chemical Society, Journal of Physical Chemistry A, or Journal of Physical Chemistry B. After reading this paper, you will discuss it with Prof. Posey.
On or before October 10th, you should send Prof. Posey the title, author(s), citation information, and DOI of the paper that you have selected for approval. After Prof. Posey has approved your paper, you should read the paper and any related papers or other background material required to understand the research reported. You will schedule an appointment to discuss the paper with Prof. Posey between November 10 and November 25. The deadline for scheduling your appointment is October 31.
For the meeting with Prof. Posey, you should be prepared to discuss the data presented and how it was obtained. You should critically evaluate the data, the arguments presented, and conclusions reached. Do the data support the claims being made? Did the authors present convincing arguments to reach their conclusions? Do you see any problems with the methods used or arguments made? You should also try to make connections to the content in CEM 881. You should bring key figures from the paper in hardcopy or electronic form to the meeting with Prof. Posey. It is not necessary to prepare a PowerPoint presentation. In fact, you will not receive a good grade for simply reading text from a deck of PowerPoint slides.
By enrolling as a student at Michigan State University, you have joined an academic community built on trust and mutual respect. As stated in Academic Freedom for Students at Michigan State University, ÒThe student shares with the faculty the responsibility for maintaining the integrity of scholarship, grades, and professional standards.Ó[1] As such, each time that you submit work for a grade you are attesting that this work is your work and that it has been prepared following the guidelines provided for the assignment. Further, if you observe an act of academic dishonesty, you are obligated to report it to the instructor or one of the TAs. In any work that involves collaboration, you are expected to make a good-faith effort to contribute.
The Department of Chemistry adheres to MSU Policies, Regulations and Ordinances Regarding Academic Honesty and Integrity (https://www.msu.edu/~ombud/academic-integrity/index.html). In this course, any student who cheats by copying the work of others, using unauthorized materials, or communicating with others during a quiz, test, or final exam will receive a penalty grade of 0 for the assignment. Students who submit in-class work for another student who is not present will receive no credit for their work on that day.
An Academic Dishonesty Report will be filed as required by MSU policy any time that a penalty grade is given. A studentÕs academic dean will receive this report, and it will be added to the studentÕs academic record. If a student feels that he/she has been unjustly accused of academic dishonesty, he/she should first meet with Prof. Posey to resolve the dispute. If dissatisfied with the outcome of this meeting, the student can meet with the Chair of the Department of Chemistry. Finally, a student can contest an allegation of academic dishonesty and penalty grade by filing a grievance with the Chemistry Department Hearing Board after meeting with Prof. Posey and the Chemistry Department Chair.
In-class work is integral to this course. To encourage your attendance and participation in class, 10% of the semester grade is tied to in-class work. Recognizing that there may be times when you must miss a class, you can still earn full credit for in-class work by completing 75% of the in-class activities. As an incentive, anyone who earns credit for ³85% of the in-class assignments will receive a bonus of 1% added to his/her semester average.
If you choose, you may attend one of the CEM 483 recitations, but this is not required. Consult the Schedule of Courses for times and locations.
á Please turn your cell phone off during class; otherwise, Prof. Posey might have to answer your phone for you, which could be embarrassing.
á Please be courteous and respectful of the opinions and contributions of others.
á Participate in discussions with your group. The rest of your group wants to hear what you have to say.
á If you must arrive in class late or leave early, please show your classmates respect by doing this with minimum disruption.
á Please refrain from using headphones, earbuds, and cell phones during class.
á Cell phones, tablets, and computers should be put away during class. Not only are they a distraction to the user, research has shown that the use of electronic devices negatively impacts the performance of other students who are seated near the user.
á No electronic devices (cell phones, tablets, iPods, MP3 playersÉ) except calculators are permitted during quizzes, tests, and the final exam.
Michigan State University is committed to providing equal opportunity for participation in all programs, services, and activities. Requests for accommodations by persons with disabilities may be made by contacting the Resource Center for Persons with Disabilities by phone at 517-884-RCPD or through the web at rcpd.msu.edu. Once your eligibility for an accommodation has been determined, you will be issued a verified individual services accommodation (ÒVISAÓ) form. Please present this form to Prof. Posey at the start of the semester and/or two weeks prior to the accommodation date (test, quiz, homework, etc.). Requests received after this date will be honored whenever possible.
[1] Academic Freedom for Students at Michigan State University, Article 2: Academic Rights and Responsibilities (http://splife.studentlife.msu.edu/academic-freedom-for-students-at-michigan-state-university/article-2-academic-rights-and-responsibilities)