# Physical Chemistry: Quantum Mechanics

## VIPEr Fellows 2019 Workshop Favorites

Submitted by Barbara Reisner, James Madison UniversityDuring our first fellows workshop, the first cohort of VIPEr fellows pulled together learning objects that they've used and liked or want to try the next time they teach their inorganic courses.

## Guided reading and in-class discussion questions for "High-Spin Square-Planar Co(II) and Fe(II) Complexes and Reasons for Their Electronic Structure"

Submitted by John Miecznikowski, Fairfield UniversityThe guided reading questions may be graded using the answer key.

These questions have not yet been assigned to students.

Guided reading and in-class discussion questions for "High-Spin Square-Planar Co(II) and Fe(II) Complexes and Reasons for Their Electronic Structure."

**1. Bring together ligand field theory and symmetry.**

**Students should be able to identify symmetry of novel molecules in the literature.****Students should be able to explain d-orbital ordering in a coordination complex using ligand field theory.****Students should be able to identify donor/acceptor properties of previously unseen ligands.****Students should be able to apply your knowledge of electronic transitions to the primary literature.****Students should be able to become more familiar with 4-coordinate geometries.****Students should be able to predict magnetic moments of high-spin and low-spin square-planar complexes.****Students should be able to identify properties of ligands that favor formation of the highly unusual high-spin square planar complexes.**

**2. Students should comfortable with reading and understanding primary literature.**

You do not have to assign all of the guided reading questions at once. You may consider assigning questions as they pertain to where you are in your inorganic chemistry class.

## Advanced Inorganic Chemistry

Submitted by John Miecznikowski, Fairfield University## Basics of Lanthanide-Based Photophysics

Submitted by Jacob Charles Lutter, University of MichiganThis 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.

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.

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

## Student Oral Presentations of a Communication from the Primary Literature

Submitted by Carmen Works, Sonoma State Universitysee rubric that is attached

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.

· 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

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.

## Isotopic labeling and reduced mass calculations for IR spectroscopy

Submitted by Adam R. Johnson, Harvey Mudd Collegeas 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.

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.

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.

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

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

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.

## Peer Review - How does it work?: A literature discussion with a focus on scientific communication

Submitted by Michael Norris, University of WashingtonStudents can hand in tthe first set of questions as homework which may be evaluated. Class participation and group work may also be graded appropriately.

This is an untested LO.

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**

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.

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*.

## How to Determine the Irreducible Representation of a MO

Submitted by Richard Lord, Grand Valley State UniversityFive 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.

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

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*).

## Advanced Inorganic Chemistry Course Videos

Submitted by Kathryn Haas, Saint Mary's College, Notre Dame, IN3 x 1 hour exams, ACS INorganic Chemistry Final Exam.

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.

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.

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!)