@UPennXtal

News, recent publications and pretty pictures of crystal structures from the small molecule X-ray crystallography facility at @PennChemistry.

 Philadelphia, PA
web.sas.upenn.edu/chemlabxray/
Joined June 2022
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33Media
It’s a bittersweet day as we wish Dr. and Mrs. Patrick Carroll a well-deserved retirement. Pat has served as the director of @UPennXtal at @PennChemistry for 42 years and Marianne as the website admin/report writer for 32 years. Pat has had 1369 published structures AND counting!
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Movin’ over to @Bluesky, see you there!
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UPenn SCXRD Facility retweeted
Mindiola Group@MindiolaGroup3 Nov 2024
Now all the elements can get in on the fun! Check out our latest work in @ChemicalScience! Pnictogen-Based Vanadacyclobutadiene Complexes. pubs.rsc.org/en/content/arti… Thanks to Afshan, @JohnRuss19, @baikkaist 💻, and @UPennXtal 🔮for their contribitions!

Pnictogen-based vanadacyclobutadiene complexes†

The reactivity of the V≡CtBu multiple bonds in the complex (dBDI)V≡CtBu(OEt2) (C) (dBDI2− = ArNC(CH3)CHC(CH2)NAr, Ar = 2,6-iPr2C6H3) with unsaturated subst

pubs.rsc.org
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UPenn SCXRD Facility retweeted
XRD Facility@tamuxray19 Sep 2024
If your goniometer head looks like this, maybe you have gone a tad to far. We found this on the instrument this morning.
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UPenn SCXRD Facility retweeted
Mindiola Group@MindiolaGroup12 Sep 2024
Congrats to our Iron Man (@EthanZars) on another published mansucript! Check it our here! A Ferrous Adduct of a Phosphanylidene-σ4-phosphorane | Organometallics pubs.acs.org/doi/full/10.102…

Flash Communication: A Ferrous Adduct of a Phosphanylidene‑σ4‑phosphorane

Abstract. The sterically encumbered phosphanylidene-σ4-phosphorane Mes*PPMe3 (Mes* = 2,4,6-tBu3C6H2) smoothly displaces Et2O in [(tBupyrr2py)­Fe­(OEt2)] (1

pubs.acs.org
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UPenn SCXRD Facility retweeted
Mindiola Group@MindiolaGroup17 Sep 2024
Hey all! Check out @mattmena_ first (first author!!!) publication in the group! Molecular Bis(chalcogenido) Titanates of Te, Se, and S | Inorganic Chemistry pubs.acs.org/doi/full/10.102…

Molecular Bis(chalcogenido) Titanates of Te, Se, and S

Abstract. A series of titanate cisoid bis­(chalcogenidos) (Ch = Te, Se, and S) complexes supported by the β-diketiminate ligand BDI– = [ArNC­(CH3)]2CH (Ar

pubs.acs.org
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UPenn SCXRD Facility retweeted
SchelterGroup@SchelterGroup27 Aug 2024
Congrats to my brilliant colleague, collaborator, and buddy Pat Walsh @PennSAS @PennChemistry on the 2025 Arthur C. Cope Scholar Award from the ACS! cen.acs.org/acs-news/ACS-ann…
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UPenn SCXRD Facility retweeted
Penn Arts & Sciences@PennSAS13 Aug 2024
Chemist Eric Schelter has won a Cotrell Plus SEED Award, which supports innovative research with transformative potential. The @SchelterGroup is seeking new ways to sustainably separate battery materials. bit.ly/3ApJ2WQ @Penn @PennChemistry @RCSA1
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UPenn SCXRD Facility retweeted
SchelterGroup@SchelterGroup24 Jul 2024
Check out our latest pub "Synthesis and Luminescence Studies of a Tethered, Trigonal, Silver(I) Tris(alkyne) Complex" out now @InorgChem ! Congrats to Brett and former group member Max on this nice work! pubs.acs.org/doi/full/10.102…
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Another successful #ACA2024 First time in Colorado so took in some sights! Great meeting other crystallographers from the nation and catching up on all the neat structural science! #ServiceSIG @ACAxtal
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UPenn SCXRD Facility retweeted
SchelterGroup@SchelterGroup7 Jun 2024
Check out our latest paper "Assembly of a Trapped Valent CeIII/IV-TCNQ Complex Through Metal-Ligand Redox Cooperativity" out now @ChemCommun! Congrats to Himanshu @himanshu_chem and Brett on your nice work! pubs.rsc.org/en/content/arti…
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J. Am. Chem. Soc.@J_A_C_S4 Jun 2024
A Vanadium Methylidene | Journal of the American Chemical Society @MindiolaGroup @Penn @PennChemistry #Vanadium #Methylidene pubs.acs.org/doi/10.1021/jac…

A Vanadium Methylidene

Abstract. Examples of stable 3d transition metal methylidene complexes are extremely rare. Here we report an isolable and stable vanadium methylidene compl

pubs.acs.org
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UPenn SCXRD Facility retweeted
SchelterGroup@SchelterGroup17 May 2024
Check out our latest paper "Towards Redox- and Photoredox-Based Niobium/Tantalum Separations" out now @ACSSustainable! Congrats to Max Furigay, Qiaomu Yang @yqm1221, and Subha @hartreefocker (w/ @GCSchatz ) on the first light-driven Ta/Nb separation! pubs.acs.org/doi/full/10.102…
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Shao-Liang Zheng@shaoliangzheng11 May 2024
A good read: Using Data @ccdc_cambridge to Practice #CrystallographicSkills and Revise Erroneous Structures 😀pubs.acs.org/doi/10.1021/acs… @CGD_ACS @IUCr #crystallography #education

Using Data from the Cambridge Structural Database to Practice Crystallographic Skills and Revise...

Abstract. Using the Cambridge Structural Database along with the analysis and visualization programs provided by the Cambridge Crystallographic Data Centre

pubs.acs.org
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UPenn SCXRD Facility retweeted
RompelGroup@RompelLab27 Apr 2024
#CuNews No.209: #Science News! 📢 #Researchers @PennChemistry report about: Lewis Acids and Electron-Withdrawing Ligands Accelerate CO Coordination to Dinuclear #CuI Compounds in @InorgChem 😃 read more: doi.org/10.1021/acs.inorgche…

Lewis Acids and Electron-Withdrawing Ligands Accelerate CO Coordination to Dinuclear CuI Compounds

Abstract. A series of dinuclear molecular copper complexes were prepared and used to model the binding and Lewis acid stabilization of CO in heterogeneous

pubs.acs.org
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UPenn SCXRD Facility retweeted
Shao-Liang Zheng@shaoliangzheng5 May 2024
"#Methanetriol solvate, the #ImpossibleMolecule?"🤔🤔 "Just the unrefined disordered CHCl3 since C-"O" bond length is up to 1.68-1.79. You can always download the cif and hkl @ccdc_cambridge and refine by yourself"😀😀doi.org/10.1021/acs.orglett.… @IUCr #crystallography #education
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Mindiola Group@MindiolaGroup18 Apr 2024
Check out our latest work in @angew_chem! @MrinalBhunia shows that a Ti(IV) nitride undergoes N-C bond coupling with CO and CNR to form a series of Ti(II) cumulenes. onlinelibrary.wiley.com/doi/…

Divalent Titanium via Reductive N−C Coupling of a TiIV Nitrido with π‐Acids

A titanium nitride undergoes N−C bond coupling with carbon monoxide and isocyanides to form TiII cumulene complexes [(PN)2Ti(NCE)]− (E=O, NAd, NtBu). Oxidation of these affords the TiIII cumulene...

onlinelibrary.wiley.com
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CCDC Cambridge@ccdc_cambridge4 Apr 2024
✨Celebrating the legacy of Professor Arnold Rheingold, a predominant figure in crystallography, through the beauty and diversity of some of his thousands of structures in the Cambridge Structural Database (CSD). 🔗ccdc-info.com/4cFtMUj #Crystallography #StructuralScience
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UPenn SCXRD Facility retweeted
SchelterGroup@SchelterGroup21 Mar 2024
Featuring @PennSAS @PennChemistry Prof. Karen Goldberg @chembirdie @GoldbergLabPenn and our own @VIPERatPenn Tyler Gong!
Penn
@Penn20 Mar 2024
Winters are supposed to be cold. At the forthcoming Vagelos Laboratory for Energy Science and Technology, researchers will work toward solutions that could help slow the steady sprint of climate change. #penninspires
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Dirk H. Trauner
@DirkTrauner19 Mar 2024
Our “Need Motivation “ button is back, upon popular request. Feel a little down? Press it, press it NOW!! traunergroup.org
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UPenn SCXRD Facility retweeted
Mindiola Group@MindiolaGroup29 Feb 2024
Check out our latest work in Polyhedron! @JohnRuss19 and @PennChmREU alum @Sarah_Mai_Smith discuss the transformation of a cyclic polymer catalyst into an inactive species. This highlights a potential deactivation pathway for our catalyst. 🔎⭕️❌ sciencedirect.com/science/ar…
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