#cocrystals
New paper out! "77Se Solid-State NMR Investigation of Selenium Chemical Shift Tensors of Chalcogen Bonds in Selenadiazole Cocrystals" @uottawa.bsky.social

doi.org/10.1021/acs....

#NMRchat @pubs.acs.org
77Se Solid-State NMR Investigation of Selenium Chemical Shift Tensors of Chalcogen Bonds in Selenadiazole Cocrystals
This study focuses on 3,4-dicyano-1,2,5-selenadiazole and substituted 2,1,3-benzoselenadiazole-based cocrystals synthesized via mechanochemical methods and characterized by a combination of X-ray diff...
doi.org
March 6, 2025 at 1:17 PM
Amy Hall @amyvhall.bsky.social (Durham) kicks off the #BCA25 polymorphism, hydrates and co-crystals session with "Are hydrogen bonds really queen in molecular cocrystals?"
April 15, 2025 at 3:36 PM
Machine learning strategies integrating knowledge transfer and a cascaded framework: Guiding the discovery of NIR-II organic cocrystals https://www.sciencedirect.com/science/article/pii/S1385894726095306 #Cocrystals
October 1, 2026 at 9:40 AM
Just out! A joint effort with the Wasielewski group, showing how a change in exciton delocalization promotes intersystem crossing in donor–acceptor cocrystals. Featuring Team member extraordinaire Antonio!

@trienensinst.bsky.social @nuchemistry.bsky.social

pubs.aip.org/aip/jcp/arti...
Molecular engineering charge transfer and triplet exciton formation in donor–acceptor cocrystals
Organic donor–acceptor (D–A) cocrystals are gaining attention for their potential applications in optoelectronic devices. This study explores the dynamics of ch
pubs.aip.org
January 10, 2025 at 6:46 PM
🤖Data-Driven Discovery of Polar Organic Cocrystals: Integration of Machine Learning and Automated Screening | Journal of the American Chemical Society pubs.acs.org/doi/full/10....
Data-Driven Discovery of Polar Organic Cocrystals: Integration of Machine Learning and Automated Screening
Polar organic cocrystals hold significant promise for various advanced technological applications. However, their relatively low occurrence emphasizes the difficulties in achieving the desired polar p...
pubs.acs.org
October 31, 2025 at 7:21 AM
Tis the season to survive peer review! 🎄
In our new work, we (@crystalexplorer.net and Aurora Cruz-Cabeza) analyse the Cambridge Structural Database to determine whether hydrogen bonds are actually the most important interaction in cocrystals.
Read it here: www.nature.com/articles/s42...
The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals - Communications Chemistry
Hydrogen bond pairing and supramolecular synthon approaches have influenced the understanding of cocrystal formation for decades, but whether or not hydrogen bonds are the dominant interaction in cocr...
www.nature.com
December 3, 2024 at 2:38 PM
Phenylcarbazole[2]arene-based charge-transfer cocrystals: A host-guest approach toward tunable photothermal conversion

doi.org/10.1016/j.cc...
July 21, 2026 at 12:26 PM
Phenylcarbazole[2]arene-based charge-transfer cocrystals: A host-guest approach toward tunable photothermal conversion
Phenylcarbazole[2]arene-based charge-transfer cocrystals: A host-guest approach toward tunable photothermal conversion

doi.org/10.1016/j.cc...
July 21, 2026 at 1:41 PM
New paper out!

"Chalcogen-Bonded Cocrystals and Salt Cocrystals via Automated Resonant Acoustic Mixing with a Button Operative Bot"

#mechanochemistry

doi.org/10.1039/D4MR...
Chalcogen-Bonded Cocrystals and Salt Cocrystals via Automated Resonant Acoustic Mixing with a Button Operative Bot
Mechanochemical approaches to the preparation of chalcogen-bonded cocrystals have not been systematically well-studied. We report here the preparation of six cocrystals and salt cocrystals of chalcoge...
doi.org
December 10, 2024 at 1:51 PM
Ph3AsO as a Strong Hydrogen-Bond Acceptor in Cocrystals with Hydrogen Peroxide and gem-Dihydroperoxides | Inorganic Chemistry pubs.acs.org/doi/10.1021/... Virant and co-workers @InorgChem #arsenic #Ph3AsO #Hbond #acceptor #H2O2 #dihydroperoxides #cocrystals
January 30, 2025 at 4:23 PM
These crystals are all made of the same stuff, but their color changes slowly from blue to orange as they release acid. Prodipta Samadder synthesizes organic boron complexes that can form acid cocrystals. Read more: cen.acs.org/analytical-c...

#CENChemPics #FluorescenceFriday #chemsky
September 12, 2025 at 2:28 PM
A novel strategy for coformer selection of pharmaceutical #cocrystals has recently been reported.

🔷The work combines computational and experimental high-throughput screening methods to design cocrystals of an inhibitor for the treatment of asthma.

🔗 t.co/qt6N9lNCek

#CompChemSky 🧪 #ChatChemistry
December 4, 2024 at 10:46 AM
Ionic Cocrystal Programming of Spatial Ionic Organization in Carbon Nitrides Enables Highly Efficient H 2 O 2 Photosynthesis https://doi.org/10.1002/adma.75258 #Cocrystals #Cocrystal
October 1, 2026 at 11:38 AM
Ready for the next talk at #INCOME2025? Join José Hernández →
Investigating the Detection and Role of Cocrystals in Metal-Mediated C‒H Activation through #Mechanochemistry

Much more ahead — stay with us!

@bamresearch.bsky.social @humboldtuni.bsky.social
#mechanochemistry
September 16, 2025 at 7:16 AM
💡New in Inorganic Chemistry!
Halogen bonding + π-stacking team up to tune phosphorescence in Pt(II) complexes.
Don’t miss this study on noncovalent design for luminescent materials! Nice collaboration with @lrraurell.bsky.social! @lucescostaction.bsky.social
📄 doi.org/10.1021/acs....
🔬 @acs.org
Halogen-Bonded Cocrystals for Tunable Phosphorescence Emission of Pt Complexes
Noncovalent interactions, such as halogen bonding (HaB) and π-stacking, play a pivotal role in directing supramolecular assemblies and tuning photophysical properties. Herein, we report the synthesis, X-ray structural characterization, and photophysical properties of cocrystals and host:guest adducts formed by iodopentafluorobenzene (G) with three distinct Pt(II) complexes (1–3). The cocrystals exhibit a combination of short I···Pt halogen bonds and π-hole···Pt interactions in the solid state, highlighting the dual role of the Pt(II) center as a halogen bond acceptor and a π-stacking participant. Interestingly, an enhancement in emission intensity is observed for complexes 1·G and 2·G upon mixing of 1 or 2 with G in a chloroform solution, attributed to synergistic σ-hole···[dz2-PtII] interactions that reduce the flexibility of the square-planar complex and the double heavy atom effect. These results emphasize the potential of host:guest interactions as a strategy for enhancing luminescence efficiency and open new avenues for designing functional materials for sensing and optoelectronic applications.
doi.org
May 23, 2025 at 7:57 AM
Phenylcarbazole[2]arene-based charge-transfer cocrystals: A host-guest approach toward tunable photothermal conversion
Phenylcarbazole[2]arene-based charge-transfer cocrystals: A host-guest approach toward tunable photothermal conversion

doi.org/10.1016/j.cc...
July 21, 2026 at 1:40 PM
Halogen-Bonded Cocrystals for Tunable Phosphorescence Emission of Pt Complexes | Inorganic Chemistry pubs.acs.org/doi/10.1021/... Rodríguez, Frontera, and co-workers @InorgChem #platinum #halogen_bonded #cocrystals #host_guest_adducts #phosphorescence
May 24, 2025 at 3:53 PM
Excellent talk by Clara S. B. Gomes at #INCOME2025 →
#Mechanochemical Engineering of Novel Praziquantel Cocrystals for Enhanced Solubility
Ready for a day filled with great talks and discussion? Stay with us! 🚀🧪

@bamresearch.bsky.social @humboldtuni.bsky.social
#mechanochemistry
September 16, 2025 at 7:50 AM
Interesting collaboration with N. Bokach and A. V. Rozhkov where we achieved positional control of σ- and π-hole directionality in iodoselane cocrystals just published in Organometallics. @dquimicauib.bsky.social @uib.cat
pubs.acs.org/doi/10.1021/...
Positional Control of σ- and π-Hole Directionality in Iodoselane Cocrystals: Structural Impact of the Iodine Position on the Supramolecular Assembly with 1,4-Diazabicyclo[2.2.2]octane (DABCO)
We demonstrate positional control of noncovalent σ- and π-hole interactions through strategic isomeric positioning of iodine substituents in selanes p-IC6F4SeC6F5 (1), m-IC6F4SeC6F5 (2), and o-IC6F4Se...
pubs.acs.org
September 16, 2025 at 6:32 AM
Don't miss Anagha Sasikumar, Radek Marek et al's recent article

#ChemSciCovers

'Supramolecular covalency of halogen bonds revealed by NMR contact shifts in paramagnetic cocrystals'

🔗 doi.org/10.1039/D5SC...

@mareklab.bsky.social
November 15, 2025 at 10:00 AM
Co-Crystallization Process of Colchicine Cocrystals and Their Thermodynamic Properties https://doi.org/10.1021/acs.cgd.6c00608 #Cocrystals #Cocrystal #Co-Crystal
September 25, 2026 at 6:25 AM
Insight into the phase equilibrium of mycophenolic acid-4,4′-bipyridine cocrystals with different stoichiometric ratios https://www.sciencedirect.com/science/article/pii/S0022286026023124 #Cocrystals
September 20, 2026 at 1:15 PM
Multi‐Field Coupling in Organic Charge Transfer Cocrystals: Rational Design and Emerging Opto‐Electro‐Magnetic Functions https://advanced.onlinelibrary.wiley.com/doi/10.1002/adfm.78702?af=R #Cocrystals
September 25, 2026 at 8:28 AM
📣In this new collaboration with V. Kukushkin's group we have studied how the Terminal Substituent Controls the Trifunctional σ/π-Hole Donor Behavior in Iodoselane Cocrystals. A work just published in Crystal Growth & Design @acs.org @dquimicauib.bsky.social @uib.cat pubs.acs.org/doi/abs/10.1...
Terminal Substituent Control of Trifunctional σ/π-Hole Donor Behavior in Iodoselane Cocrystals: From Discrete Heterotrimers to Extended Polymeric Networks
This study systematically investigates the supramolecular assembly of iodoselanes (organoselenenyl iodides of the general type ArFSeI, where ArF is a perfluoroaryl group) bearing different terminal pe...
pubs.acs.org
April 22, 2026 at 12:29 PM