Manipulating Hydrocarbon Chain-Melting Transitions in Dialkylammonium Halide Barocaloric Materials through Desymmetrization Layered materials containing hydrocarbon bilayers capable of transitioning between an ordered and partially disordered state can exhibit large temperature and entropy changes─termed barocaloric effect...

📢 Join our #Chem255 Mini-Workshop!
Learn #InHouse Variable-Temperature #PXRD data collection, indexing & #StructureRefinement using #TOPAS, led by Faith Chen #MasonGoup #HarvardCCB, 2025 #LudoFrevelScholar
@icdd.bsky.social 😀😀 doi.org/10.1021/jacs...
#Crystallography #education #PeerTutoring

This round is oriented on to diffraction people, but doable for everybody, in principle.

Can you spot a minor mistake on the label?
Ignore additional peaks on the experimental patterns, they are from other phase(s) and are not important for the question.

#chemchat #crystallography #PXRD

And the most recent #JournalClub on interpreting the #PXRD patterns of covalent organic #frameworks #COF by @mollart.bsky.social based on Lotsch group’s paper www.grynova-ccc.org/journal-club...

For all you #crystallography people out there - what is your preferred way of acquiring the data when you want to solve the crystal structure from #PXRD? For how long, in what range? Is there anything specific you do?

What software do you use?

#chemistry #crystalstructure

Influence of Node–Linker Connectivity on Radiolytic Stability of Thorium-Terephthalate Coordination Polymers | Inorganic Chemistry pubs.acs.org/doi/10.1021/... Burns and co-workers @InorgChem #thorium #terephthalate #hybrids #PXRD #DRIFTS #DFT

The Devil Is in the Details: Pitfalls and Ambiguities in the Analysis of X-ray Powder Diffraction Data of 2D Covalent Organic Frameworks X-ray powder diffraction (XRPD) data of covalent organic frameworks (COFs) seem to be simple and apparently do not contain a lot of structural information, as these patterns usually do not show more t...

If you are working with #cof and #pxrd check out Sam's paper on pitfalls when analysing pxrd patterns #chemsky
pubs.acs.org/doi/10.1021/...

Webinar promotional graphic showing circular photographs of each of the speakers.

The CSD-Materials suite now includes a CSD Python API feature based on the FIDEL method that matches and optimizes crystal structures against experimental powder diffraction patterns.

Join us to learn more:

📆 23rd Jan - 16:00 PM (GMT)

🔗 ccdc-info.com/3Bbv8bH

#CompChemSky #Crystallography #PXRD

Supramolecular Assembly, Solvent-Induced, and Mechanochromic Luminescence of Au(I) Quinoline-8-thiolates | Inorganic Chemistry pubs.acs.org/doi/10.1021/... Tzeng, Chang, and co-workers @InorgChem #gold #supramolecules #solvent #machanochromic #QNS #PXRD

Syntheses and Crystal Structures of Alkaline Earth Metal Hydrogen Acetylides AE(C2H)2 with AE = Ca, Sr, Ba | Inorganic Chemistry pubs.acs.org/doi/10.1021/... Körtgen and Ruschewitz @InorgChem #calcium #strontium #barium #hydrogen_acetylides #PXRD #SPD #XRD #IR #Raman #DSC #TGA