Ivana Brekalo

Crystal Structures of XeF2·2PtF4 and XeF2·2PdF4 Determined by 3D Electron Diffraction and Structural Models of XePtF6 Although the demonstration of noble-gas reactivity represents one of the most significant breakthroughs of 20th-century inorganic chemistry, the first noble-gas compound, XePtF6 (XeF2·PtF4), lacks com...

We used 3D electron diffraction to elucidate the crystal structures of XePt₂F₁₀ and XePd₂F₁₀. Based on these findings, we propose structural models for the first noble-gas compound, XePtF₆.
#InorgChem #3DED #Xenon #ChemSky #OpenAccess 📃
doi.org/10.1021/acs....

👨‍🔬👩‍🔬 Katarina Lisac, Joe Ramirez, Petra Pongrac, Andreas Puškarić, Srećko Valić, Yizhi Xu, Michael Ferguson, Joe Marrett, @marhangelskis.bsky.social ,Tomislav Friščić and Travis Holman

💰Funding from @ec.europa.eu NextGenerationEU through the Croatian Science Foundation, @ncn.gov.pl , NAWA Poland, @leverhulmetrust.bsky.social

This work is an international collaboration with groups from @institutrb.bsky.social Warsaw University, @unibirmingham.bsky.social , @georgetownuni.bsky.social , University of Zagreb

💻 💡 Periodic DFT calculations show that incorporated guests can provide very large stabilization to the frameworks, sometimes >50 kJ/mol per Zn. We can even potentially predict certain reaction outcomes, based on thermodynamic stabilities of the products.

💪 💧 Mechanochemistry allows us to use a very wide scope of structure-directing agents, ranging from water and alcohols, to amides, esters, ethers, and even cyclic alkanes and nonpolar aromatics such as toluene.

💎 🔎 We show here that mechanochemical screening using Liquid Assisted Grinding can provide 14 different crystalline forms of zinc imidazolate MOF, including two new forms of the crb(BCT) topology!

Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks Using Structure-Directing Liquid Additives We demonstrate a systematic application of the mechanochemical liquid-assisted grinding (LAG) methodology to screen for forms of zinc imidazolate (ZnIm2), of fundamental importance as the simplest mem...

Are you interested in mechanochemistry and porous materials? Maybe solid form screening and control? Or perhaps periodic DFT? 🙋‍♀️
For all that and more, read our brand new open access paper in JACS: 🥳 (details below)
pubs.acs.org/doi/full/10....

The second paper from our project is out in PCCP, in open access!
This wonderful collaboration with our colleagues from the Institute for physics resulted in a home-made Raman system for in situ monitoring of mechanochemical ZIF syntheses 🥳

t.co/dKB9OpDgJ1

Bahar, in a lab coat, goggles and purple gloves, explaining something to a group of teenagers and adults. They’re standing in a tent with scientific posters on the walls

Katarina, in a lab coat and purple gloves, doing a grinding experiment in front of a group of three kids. They’re standing in a tent with scientific posters on the walls, on a meadow, with several other people in lab coats around

We had a blast on Friday doing mechanochemistry and porous materials demos as part of #SciHill

Infographic on fluorinated 'forever chemicals' and where to find them. Fluorochemicals are organic (carbon-based) compounds that contain fluorine atoms in place of hydrogen atoms. These compounds are often referred to as “per and polyfluoroalkyl substances”, or PFAS. The bond between carbon and fluorine atoms are very strong and stable. Because of this, PFAS don’t break down easily and can accumulate, posing potential problems for human health and the environment. The graphic goes on to show the structures of some common PFAS and details their uses.

Today is #NationalTeflonDay 🍳

Teflon is a fluorochemical, a group of stable and long-lived compounds that have generated environmental and health concerns.

This graphic looks at the uses of these compounds, the concerns, and possible alternatives: www.compoundchem.com/2024/12/06/p...

#ChemSky 🧪

Please help me get this opportunity in front of as many potential future marine biologists as possible. We have a team standing by to answer their questions but we need questions!

The CDC Has Been Gutted Thousands of CDC employees who worked on things like preventing HIV and lead poisoning have been told they were subject to a reduction in force. Experts say people will die.

NEW: Thousands of CDC employees who worked on things like preventing HIV and lead poisoning have been told they were subject to a reduction in force. Experts say people will die.

SCIRES 2025 Welcome note Solid-State Science & Research meeting (SCIRES) is a multidisciplinary forum for presenting experimental, theoretical and computational research from all fields of solid-state and materia...

Are you doing science in the solid state? Want to chat and present your research to physicists, chemists, geologists and more in the field? Come to beautiful Zagreb this July 2-4!
Abstract submission: May 10th, 2025
All details: www.scires2025.irb.hr

Join me and some amazing scientists in Zagreb this July 🤩🎆

What an incredible loss for the crystallography community and science in general. Prof Sheldrick was truly a giant and such a nice person. May he rest in peace 🕯️

Office desk without any personal items or decor

Today, along with 2,000 other NIH employees, I had to clear out my office 😭

It was truly the honor of my life to work with such incredibly passionate people focused on improving human health. I’ve never experienced a more positive culture where *everyone* cared about their job and serving others.

If you wish ACS to sign onto the (linked within) letter being organized by the American Psychological Association, emailing comments@acs.org with your comments plus member number is likely the best start for action.

#chemsky 🧪⚗️

Exactly that! And a Cram’s cavitand 🥰

A microscope image showing several colourless crystals. The central crystal is shaped like a heart

A chemical diagram showing many atoms and bonds. One set of bonds is shaped like a heart

Every Valentine’s day I’m reminded that this crystal gave me this specific structure 💖
I love my research and it loves me back 🥰
#crystallography #science #valentines

pubs.acs.org/doi/10.1021/...
Hey all–please read for important Changes to the 2024 ACS Catalysis Lectureship Award. Most importantly, we are now giving ONE in EACH area–biocatalysis, heterogeneous catalysis and homogeneous catalysis! Deadline is Dec 31 but the process is very easy!

Five people smiling in a room full of mechanical equipment, yellow and black tape, robots and the like. It is a synchrotron experimental hutch

Three women (me, Katarina and Valentina) in winter clothes smiling and standing in front of a large building with the name Petra III Max Von Laue

We’re back baby! 🥳
After a long year and a half, we’re back at the DESY synchrotron in Hamburg for some in situ mechanochemistry 💜
@asciencelark.bsky.social @vmartinez1.bsky.social

okay, we're starting with this

Step 1. call your own rep if you haven't already!

Step 2. sign this (cis women only please! cis guys, you can help by boosting)

Step 3. much depends on the success and reach of step 2; lots of options if this blows up

actionnetwork.org/petitions/no...

Yes! My absolute favorite place on Earth 🥰

Post a picture you took (no description) to bring some zen to the timeline

Neki od nas su sinoc maratonirali LOTR do poslije 3 ujutro i onda isli precitavati kraj RoTK jer jel… nije bolest sve sto boli 👀

Imaju i hrpu radionica tamo! Kumce se raspametilo kad su imali LEGO Star Wars radionicu 😂
(Ja sam ga navukla na SW i frendica mi jos nije oprostila 🤭)

A bemu misa 😔
Ne znam sta bi rekla… drzi se i nadam se za najbolji moguci iskod za nju i za tebe, koji god to bio.

Greenland sharks have been found with polar bears and reindeer in their stomachs.

Tiger sharks have been found with penguins and porcupines in their stomachs.

Another chemical mystery, this one for the electrochemists/inorganic types: is it possible to make hydrazine from molecular nitrogen and a electrochemistry setup? chemjobber.blogspot.com/2023/10/the-... chemsky ⚗️🧪

please reskeet