Sources for tested computational chemistry student exercises?
pKa prediction for oxyacids (oxoacids?)
I have in my notes from 9 years ago, this handy equation for prediction of pKa's for oxyacids. I was using Huheey at the time, and the equation isn't there. In fact, I can't find it ANYWHERE. I am certain that I did not develop this equation.... Does anyone recognize it? Where is it from? And which electronegativity values does it use?
pKa ~ 10.5 -5n - (chi)X
for
(HO)mX(O)n; chi is the electronegativity of the central atom X, n is the number of oxos.
MO diagrams for NO and CO
OK, so we all love the homonuclear diatomics, and how the 2p sigma is *below* the 2p pi for O2 and F2, almost equal at N2, and above 2p pi for C2, B2, etc.
CO looks a lot like N2, but it's asymmetric...the 2p sigma is the HOMO. Disturbingly, the gap seems to be *larger* than in N2...why is that?!? Being isoelectronic, it seems like it should be about the same, but there should be *more* contribution from the oxygen orbitals in the *bonding* orbitals since O is more electronegative than C.
MacGyver problems
Inorganic TA seeks single crystal compound for undergraduate lab synthesis, non-trivial structure solution, and maybe more.
What's Your Favorite Lecture?
After introducing my Gen Chem students to the Quantum Mechanical Model of the Atom today and waiting...waiting for that lovely question..."but how does an electron get from one side of the p orbital to the other?", I decided this might be my favorite lecture of the semester.
Foundational course
We're revamping our curriculum to include a foundational inorganic course probably in the sophomore year. I have a couple of questions to those of you who teach this course or are planning such a course.
1. What books do you like? I have struggled to find anything that fits the bill for this type of class.
2. Where do you put the course? Does it usually land in the sophomore year? We currently have quant and organic, but also need to add a more foundational P-chem and biochem. Where does it all fit?
First day of school blues!
Well, its that start of a new academic year. Anybody want to share horror stories or unexpected pleasantness about the first week or so?
First day activity
Pagination
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