Physical Chemistry: Quantum Mechanics

30 Jun 2016

Basics of Lanthanide-Based Photophysics

Submitted by Jacob Charles Lutter, University of Michigan
Description: 

This 5 slides about outlines the basics of lanthanide photophysics as a primer for those new to the topic.  These properties are very unique and actually very useful, which is a topic for another time.  The intricacies of what causes the Ln luminescence, its strengths and drawbacks are discussed along with how these drawbacks are addressed in molecular complexes.  Notes for the instructor are included that explain each slide.

Prerequisites: 
Course Level: 
Learning Goals: 

Students should be able to explain the Laporte selection rule, and why it is so important to the Ln photophysical properties of absorption/excitation and lifetimes.

Students should be able to explain how the intrinsic nature of the 4f orbitals creates advantages and disadvantages for luminesecence.

Students should be able to design possible antenna ligands based on desired characteristics.

Subdiscipline: 
Implementation Notes: 

Feel free to use all or part of this presentation as you see fit. 

27 Jun 2016

Student Oral Presentations of a Communication from the Primary Literature

Submitted by Carmen Works, Sonoma State University
Evaluation Methods: 

see rubric that is attached 

Description: 

In the humanities it is common practice to read a piece of literature and discuss it.  This is also practiced in science and is the purpose of this exercise.  Each student is assigned a communication from the current  literature (inorganic, JACS, organometallics, J. Phys. Chem) and the student presents this paper to the class.  The class will also have the opportunity to read the article prior to the presentation, and I post each paper on my LMS page.  The presenter will be responsible for explaining the paper, and leading a critical discussion.  This is not an easy assignment since these papers are filled with chemical jargon, but an important part of their chemical education is to be able to tackle the literature.  In addition a lot of this jargon is covered during the semester.

  

 

Course Level: 
Learning Goals: 

·      Students will learn to read a paper from the primary literature

·      Students will learn to present the a paper from the primary literature

·      Students will learn to create a group discussion

·      Students will learn how to relate chemical jargon learned throughout the four years of chemistry to the literature

·      Students will learn how to answer exam questions from the primary literature

 

Implementation Notes: 

I hand out selected communications during the second week of class.  Students are allowed to swap papers. They have the entire semester to read the paper and prepare a talk but the talks are during the last 3 weeks of class.  Each student is give 25 min to present their paper to the class.  The assignment is graded using the attached rubric and is worth 15% of their final grade.  I selected about 7 exam questions for the final exam and ask students to answer 5 of these questions.  I try to structure the questions so that they don't have to "know" every paper.  I have attached an example of such a question.  

27 Mar 2016

Isotopic labeling and reduced mass calculations for IR spectroscopy

Submitted by Adam R. Johnson, Harvey Mudd College
Evaluation Methods: 

as this was done in class, I evaluated each group's presentation in real time as they presented it to the class. I used 2a and 3 in my class this year, and will likely use the others on an exam.

Evaluation Results: 

for 2a, the students did not have much trouble determining the fact that the 18O peaks were shifted by the correct amount, thus verifying the assignment. They, by inspection, were able to determine that the two peaks were in-phase and out-of-phase stretches (symmetric and antisymmetric).

for 3, at first the students struggled with what the problem was asking. Some of them wanted to calculate the force constants. I didn't followup to see if that made sense but it seems likely that the force constants would indicate stronger bond to the O than the S or Se. Of course, that would be true given the relative magnitudes of the stretches, and evaluating whether or not the Mo=O linkage is "stronger than expected" is not something that I would be able to predict. However, once I got them on track of predicting the Mo=S and Mo=Se stretches from the Mo=O (and the other combinations), they agreed it made sense. They weren't sure whether 10% agreement was "close" or not, which is fair. But certainly the oxo does a worse job predicting the others.

Description: 

I used this as an in class activity but it may work better as a problem set for your class. I had the students read the pertinent chapters of the textbook which go through symmetry and molecular vibrations, including using both stretches and cartesian axes as bases. In class, I divided the students up into four groups. Each group did one of the problems for 30 minutes and during the last 20 minutes of class, they reported out their solution. The students had not seen the Hooke’s law in the textbook so I included it as part of the activity. I also included a handout on applying the group theory to molecular motions.

Learning Goals: 

A student should be able to use the Cartesian axes as a basis for molecular motion

A student should be able to use a bond vector as a basis for a molecular vibration

A student should be able to, given an IR stretch, predict a stretch after an isotopic substitution

Equipment needs: 

a set of character tables (C2v, C3v and C4v at a minimum) is needed for some of the groups

Prerequisites: 
Course Level: 
Implementation Notes: 

I did this as an in-class activity on 3/28/2016. I had 15 students, so groups of 3-4 on each of 4 problems. I used problem 2a, 3, and the two related LOs in class.

Time Required: 
1 50 minute class period
2 Jul 2015
Evaluation Methods: 

Students can hand in tthe first set of questions as homework which may be evaluated.  Class participation and group work may also be graded appropriately.

Evaluation Results: 

This is an untested LO.

Description: 

This learning object is based on discussion of the literature, but it follows a paper through the peer review process.  Students first read the original submitted draft of a paper to ChemComm that looks at photochemical reduction of methyl viologen using CdSe quantum dots.  There are several important themes relating to solar energy storage and the techniques discussed, UV/vis, SEM, TEM, electrochemistry, and catalysis, can be used for students in inorganic chemistry.

Unlike a typical literature LO where students discuss only the current science, this LO contains the actual reviewer comments to the original submitted manuscript as well as a link to the final version that was published in Journal of Materials Chemistry A.

DOI: 10.1039/C5TA03910J

Prerequisites: 
Learning Goals: 

Students will be able to...

·  Communicate the main ideas of a scientific research paper to classmates.

·  Identify the research area, importance of the research, and background information provided in a scientific paper.

·  Discuss areas of a paper that may be improved through revision.

·  Compare their views of necessary revisions with actual anonymous reviewers on a scientific paper and the eventual publication.

·  Understand the importance and shortcomings of the peer review process using an actual publication from the literature.

Implementation Notes: 

The LO has multiple sections which may be discarded or edited depending on the particular learning goals desired.  While the chemistry may be difficult for lower level students, the discussion of the peer review process may be valuable to students across multiple levels and even in writing courses.  Also provided are the authors' actual responses to the reviewers comments.  It should also be noted that the original article was submitted to ChemComm, but the subsequent revised article was submitted and accepted to Journal of Materials Chemistry A.

Time Required: 
Homework Assignment + 1 h in class
1 Jul 2015

How to Determine the Irreducible Representation of a MO

Submitted by Richard Lord, Grand Valley State University
Description: 

Five slides about how to systematically determine the irreducible representation if provided an unlabeled SALC. These slides focus on molecular orbitals, but this tool can be extended to any kind of SALC.

Prerequisites: 
Course Level: 
Learning Goals: 

Students should be able to:

- determine the dot product between two atomic orbitals (AOs) or molecular orbitals (MOs)

- calculate a character for a MO under each symmetry operation based on dot products

- assign the irreducible representation for a MO based on the calculated characters

Related activities: 
Implementation Notes: 

Students need to be familiar with symmetry operations, point groups, and the concept of molecular orbitals being expressed as a linear combination of atomic orbitals. It is helpful to use a literature example or computed MOs as motivation for an example where symmetry labels may not exist, as up to this point they have probably only seen SALCs after generating them with projection operators. A literature example that you can implement in a homework set, or on an exam, is linked to this LO (placeholder for when my other LO is approved).

Time Required: 
The slides can be covered in ~20 minutes but makes a nice lecture (~50 minutes) with student-worked examples after each new mechanic is introduced.
Evaluation
Evaluation Methods: 

Students were asked to predict the frontier pi orbitals of benzene based on "Frost's Magic Circle" and then to apply symmetry labels to those orbitals on a homework set. Students checked their sketches with me during office hours before attempting to assign labels, and I helped them with the 2:1 ratio since the method only provides relative phases and not sizes.

Evaluation Results: 

Most students earned full points on the homework (9/11). One student did not attempt the problem and another got confused and used the projection operator method to obtain the SALCs instead.

1 Jul 2015

Advanced Inorganic Chemistry Course Videos

Submitted by Kathryn Haas, Saint Mary's College, Notre Dame, IN
Evaluation Methods: 

3 x 1 hour exams, ACS INorganic Chemistry Final Exam.

Description: 

At this website, you will find a link to the syllabus and all lecture videos for a "flipped" version of an Advanced Inorganic Chemistry Course taught at Saint Mary's College (Notre Dame, IN).  I used Shiver & Atkins for this course, and the format is based off of Dr. Franz's course at Duke.  If anyone is interested in the problem sets, I will be happy to share, although much of the material I used is from VIPEr.  

Learning Goals: 

Students will be able to apply fundimental principles of Group Theory, M.O. Theory, Acid/Base Theory, Crystal Field Theory, Kinetic & Thermodynamic trends, and 18e- rule  to understand spectroscopic (Absorption, Vibrational) and magnetic properties and to understand bonding and reactivity of metals.

 

Implementation Notes: 

This was the first iteration of a flipped model, I appologise for any mistakes & innacuracies, but if you spot issues, I'm happy to know about them.  The videos are rather long, and I will say that if I do this again, I will certainly design shorter videos!  Students really like it when the videos are 10-15 min or less.  But, perhaps these can help some beginning teachers prepare for class.  (And if that's you, good luck!)

Time Required: 
1 semester, 3 credit hour course
24 Apr 2015

Tanabe Sugano Diagram JAVA Applets

Submitted by Amanda Reig, Ursinus College
Description: 

A series of JAVA applets of Tanbe-Sugano diagrams were developed by Prof. Robert Lancashire at the University of the West Indies.  These diagrams allow students to determine deltao/B values based on ratios of peak energies without the pain of rulers and drawing lines.  There are also features that allow a person to input values and automatically calculate certain parameters.  You can also quickly find values of delta_o and B for certain complexes via a drop-down menu on some of the pages (e.g. Cr3+ complexes).    

Course Level: 
Topics Covered: 
Prerequisites: 
Learning Goals: 

Students will be able to interpret absorption spectra using the provided Tanabe-Sugano diagram applets.

Subdiscipline: 
Implementation Notes: 

I use these applets when teaching Tanabe-Sugano diagrams in my class and students get significant practice with the applets through homework assignments and a lab experiment.

Note that you cannot use Chrome (Firefox or Internet Explorer both work) and you will likely need to add the website to your "safe" list in your JAVA settings in order for the applets to work.

4 Aug 2014

Suite of LOs on Biomimetic Modeling

Submitted by Sheila Smith, University of Michigan- Dearborn

This suite of activities can be used as a unit exploring the use of small molecule models and biophysical techniques to illuminate complicated biomolecules.  The Parent LO:  Modeling the FeB center in bacterial Nitric Oxide reductase is a short, data-filled and well-written article that is approachable with an undergraduate's level of understanding.

Course Level: 
29 Jul 2014

Five Slides About Magnetic Susceptibility

Submitted by Sibrina Collins, The Charles H. Wright of Museum of African American History
Description: 

This Five Slides About provides an overview of the concept of magnetic susceptibility for paramagnetic metal centers. Three methods are discussed, namely the Evans NMR Method, the magnetic balance and SQUID (Superconducting QUantum Interference Device). The availability of each method varies across institutions.

Prerequisites: 
Course Level: 
Learning Goals: 

The student will gain hands-on experience evaluating the magnetic properties of a paramagnetic metal complex.

The student will be able to calculate μeff (magnetic moment) from the χM (magnetic susceptibility) of a sample.

The student will learn and understand the connection between magnetic properties, unpaired electrons, oxidation state and ligand field strength for a given metal complex.

Implementation Notes: 

The purpose of this Five Slides About is to provide the instructor with a resource to introduce the topic of magnetic susceptibility. This could be used as a pre-lab discussion before students collect magnetic susceptibility data needed to calculate the magnetic moment for a given metal center. The slides can certainly be modified depending on the method for obtaining magnetic susceptibility data.

Time Required: 
20 minutes
17 Jul 2014

Introduction to Photoinduced Electron Transfer

Submitted by Robert Holbrook, Northwestern University
Description: 

This 5 slides about will introduce students to the concept of photoinduced electron transfer. These slides go over the energics of photoinduced electron transfer, which implements basic concepts of photochemistry and electrochemistry. The photoinduced electron transer properties of ris-(2,2'-bipyridine)-ruthenium(II) is used as an example. 

Prerequisites: 
Course Level: 
Learning Goals: 

Students will be introduced to photoinduced electron transfer and how to determine the driving force between an electron acceptor/donor pair. Students will be able to incororapte photochemistry and electrochemistry to inorganic complexes. Tris-(2,2'-bipyridine)-ruthenium(II) is used as an example. Students should learn the basic concept of photoinduced electron transfer and how to determine the thermodynmics for determining the driving force for PET. This maybe an interesting way to merge concepts of photochemistry and electrochemistry. The excited state of a molecule effects its reduction potentials dramatically (a 2.12 V shift in reduction potential for Ru(bpy)3). This concept is used in a wide variety of research topics from dye-sensitized solar cells to electron transfer in photosystem II.

Implementation Notes: 

These slides can be used in a lecture or a reference to introduce the concept of photoinduced electron transfer. Students must have had an introduction to basics of photochemistry and electrochemistry prior to these notes. 

Evaluation
Evaluation Methods: 

This LO has been developed for the 2014 VIPER workshop and has yet to be tested in the classroom.

Pages

Subscribe to RSS - Physical Chemistry: Quantum Mechanics