Publications by group members

^† Equal contribution

58. Borchers, T. H.; Topić, F.; Arhangelskis, M.; Vainauskas, J.; Bushuyev O. S.; Barrett, C. J.;* Friščić, T.* Three-in-One: Dye-Volatile Cocrystals Exhibiting Intensity-Dependent Photochromic, Photomechanical, and Photocarving Response J. Am. Chem. Soc. 2023, DOI: 10.1021/jacs.3c07060.

57. Vainauskas, J.; Borchers, T. H.; Arhangelskis, M.; McCormick McPherson, L. J.; Spilfogel, T. S.; Hamzehpoor, E.; Topić, F.; Coles, S.; Perepichka, D.; Barrett, C. J.; Friščić, T.* Halogen Bonding with Carbon: Directional Assembly of Non-Derivatised Aromatic Carbon Systems into Robust Supramolecular Ladder Architectures. Chem. Sci. 2023, DOI: 10.1039/D3SC04191C.

56. Kumar, L.;† Dash, S. G.;† Leko, K.; Trzybiński, D.; Bregović, N.;* Cinčić, D.;* Arhangelskis, M.* Elucidating Mechanochemical Reactivity of a Ternary Halogen-Bonded Cocrystal System by Computational and Calorimetric Studies. Phys. Chem. Chem. Phys. 2023, 25, 28576-28580. DOI: 10.1039/D3CP04358D.
Part of the Themed Collection "Fundamental Basis of Mechanochemical Reactivity".

55. Julien, P. A.;* Arhangelskis, M.;* Germann, L. S.; Etter, M.; Dinnebier, R. E.; Morris, A. J.;* Friščić, T.* Illuminating Milling Mechanochemistry by Tandem Real-Time Fluorescence Emission and Raman Spectroscopy Monitoring. Chem. Sci. 2023, 14, 12121-12132. DOI: 10.1039/D3SC04082H.

54. D’Abbrunzo, I.; Spadaro, M.; Arhangelskis, M.; Zingone, G.; Hasa, D.;* Perissutti, B.* Competitive Mechanochemical Solvate Formation of Theophylline in the Presence of Miscible Liquid Mixtures. Cryst. Growth Des. 2023, 23, 8094–8102. DOI: 10.1021/acs.cgd.3c00834.

53. Leonel, G. J.; Lennox, C. B.; Xu, Y.; Arhangelskis, M.;* Friščić, T.;* Navrotsky, A.* Experimental and Theoretical Evaluation of the Thermodynamics of the Carbonation Reaction of ZIF-8 and Its Close-Packed Polymorph with Carbon Dioxide. J. Phys. Chem. C 2023, 127, 19520–19526. DOI: 10.1021/acs.jpcc.3c04135.

52. Xu, Y.; Chodkiewicz, M. L.; Woińska, M.; Trzybiński, D.; Brekalo, I.; Topić, F.; Woźniak, K.;* Arhangelskis, M.* Hirshfeld atom refinement of metal–organic frameworks for accurate positioning of hydrogen atoms and disorder analysis. Chem. Commun. 2023, 59, 8799–8802. DOI: 10.1039/D3CC01369C.
This publication has been highlighted on the journal front cover.

51. Rai, S. K.; Tothadi, S.; Arhangelskis, M.; George, C. P.; Gonnade, R. G.; Nangia, A. K.* Polymorph II of hydroxyurea 150 years after its first synthesis. CrystEngComm 2023, 25, 2712-2716. DOI: 10.1039/D3CE00163F.

50. Kumar, L.; Leko, K.; Nemec, V.; Trzybiński, D.; Bregovic, N.; Cinčić, D.; Arhangelskis, M.* Computational Evaluation of Halogen-Bonded Cocrystals Enables Prediction of Their Mechanochemical Interconversion Reactions. Chem. Sci. 2023, 14, 3140-3146. DOI: 10.1039/D2SC06770F.
This publication has been highlighted on the back cover of the journal.

49. Xu, Y.;^† Marrett, J. M.;^† Titi, H. M.; Darby, J. P.; Morris, A. J.; Friščić, T.;* Arhangelskis, M.* Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal–Organic Framework Materials. J. Am. Chem, Soc. 2023, 145, 3515-3525. DOI: 10.1021/jacs.2c12095.

48. Muratović, S.; Martinez, V.; Karadeniz, B.; Pajić, D.; Brekalo, I.; Arhangelskis, M.; Mazaj, M.; Mali, G.; Etter, M.; Friščić, T.; Krupskaya, Y.; Kataev, V.; Žilić, D.;* Užarević, K.* Low-Dimensional Magnetism in Multivariate Copper/Zinc MOF-74 Materials Formed via Different Mechanochemical Methods. Inorg. Chem. 2022, 61, 18181–18192. DOI: 10.1021/acs.inorgchem.2c02898.

47. Vainauskas, J.; Topić, F.; Arhangelskis, M.; Titi, H. M.; Friščić, T.* Polymorphs and solid solutions: materials with new luminescent properties obtained through mechanochemical transformation of dicyanoaurate(i) salts. Faraday Discuss. 2023, 241, 425-447. DOI: 10.1039/D2FD00134A.

46. da Costa Bernardo Port, B.; Schneider-Rauber, G.;* Fretes Argenta, D.; Arhangelskis, M.; de Campos, C. E. M.; João Bortoluzzi, A.; Caon, T.* Effect of Vehicle Composition on the Preparation of Different Types of Dapsone Crystals for Topical Drug Delivery. Mol. Pharm. 2022, 19, 2164–2174. DOI: 10.1021/acs.molpharmaceut.2c00031.

45. Jobin, O.; Mottillo, C.; Titi, H. M.; Marrett, J. M.; Arhangelskis, M.; Rogers, R. D.; Elzein, B.; Friščić, T.;* Robert, É.* Metal–organic frameworks as hypergolic additives for hybrid rockets. Chem. Sci. 2022, 13, 3424–3436. DOI: 10.1039/D1SC05975K.

44. Parakatawella, S.; Gogoi, D.; Deka, P.; Xu, Y.; Sandaruwan, C.; Jayasundera, A. C. A.; Arhangelskis, M.; Thakuria, R.;* Adassooriya, N. M.* Mechanochemical Synthesis of Polymorphic Urea ⋅ Adipic Acid Cocrystal as a Sustained‐Release Nitrogen Source. Understanding Stress-Induced Disorder and Breakage in Organic Crystals: Beyond Crystal Structure Anisotropy. ChemSusChem 2022, 15, e202102445. DOI: 10.1002/cssc.202102445.

43. Szczerba, D.; Tan, D.; Do, J.-L.; Titi, H. M.; Mouhtadi, S.; Chaumont, D.; del Carmen Marco de Lucas, M.; Geoffroy, N.; Meyer, M.; Rousselin, Y.; Hudspeth, J. M.; Schwanen, V.; Spoerk-Erdely, P.; Dippel, A.-C.; Ivashko, O.; Gutowski, O.; Glaevecke, P.; Bazhenov, V.; Arhangelskis, M.; Halasz, I.; Friščić, T.;* Kimber, S. A. J.* Real-Time Observation of “Soft” Magic-Size Clusters during Hydrolysis of the Model Metallodrug Bismuth Disalicylate. J. Am. Chem. Soc. 2021, 143, 16332–16336. DOI: 10.1021/jacs.1c07186.

42. Schneider-Rauber, G.; Arhangelskis, M.; Goh, W.-P.; Cattle, J.; Hondow, N.; Drummond-Brydson, R.; Ghadiri, M.; Sinha, K.; Ho, R.; Nere, N. K.; Bordawekar, S.; Sheikh, A. Y.; Jones, W.* Understanding Stress-Induced Disorder and Breakage in Organic Crystals: Beyond Crystal Structure Anisotropy. Chem. Sci. 2021, 12,14270–14280. DOI: 10.1039/D1SC03095G.

41. Zanolla, D.; Gigli, L.; Hasa, D.; Chierotti, M. R.; Arhangelskis, M.; Demitri, N.; Jones, W.; Voinovich, D.;* Perissutti, B.* Mechanochemical Synthesis and Physicochemical Characterization of Previously Unreported Praziquantel Solvates with 2-Pyrrolidone and Acetic Acid. Pharmaceutics 2021, 1, 1606. DOI: 10.3390/pharmaceutics13101606.

40. Lennox, C.; Do, J.-L.; Crew, J. G.; Arhangelskis, M.; Titi, H. M.; Howarth, A. J.; Farha, O. K.; Friščić, T.* Simplifying and Expanding the Scope of Boron Imidazolate Framework (BIF) Synthesis Using Mechanochemistry. Chem. Sci. 2021, 12, 14499-14506. DOI: 10.1039/D1SC03665C.

39. Rajbongshi, T.; Kumar Sarmah, K.; Ganduri, R.; Cherukuvada, S.; Arhangelskis, M.; Thakuria, R.* Mechanosynthesis of Eutectics of Anti‐Inflammatory Drug Ethenzamide – A Comparison with Analogous Cocrystals. Chemistry–Methods 2021, 1, 408-414. DOI: 10.1002/cmtd.202100016.

38. Schneider-Rauber, G.; Arhangelskis, M.; Bond, A. D.; Ho, R.; Nere, N.; Bordawekar, S.; Sheikh, A. Y.; Jones, W.* Polymorphism and Surface Diversity Arising from Stress-Induced Transformations – the Case of Multicomponent Forms of Carbamazepine. Acta Crystallogr. 2021, B77, 54-67. DOI: 10.1107/S2052520620015437.

37. Arhangelskis, M.; Bučar, D.-K.;* Bordignon, S.; Chierotti, M. R.; Stratford, S. A.; Voinovich, D.; Jones, W.; Hasa, D.* Mechanochemical Reactivity Inhibited, Prohibited and Reversed by Liquid Additives: Examples from Crystal-Form Screens. Chem. Sci. 2021, 12, 3264–3269. DOI: 10.1039/D0SC05071G.

36. Arhangelskis, M.; Van Meervelt, L.; Dobrzańska, L.* Influence of ligand composition on crystal structure formation – isostructurality and morphotropism. CrystEngComm 2021, 23, 317-323. DOI: 10.1039/D0CE01302A.

35. Catalano, L.; Germann, L. S.; Julien, P. A.; Arhangelskis, M.; Halasz, I.; Užarević, K.; Etter, M.; Dinnebier, R. E.; Ursini, M.; Cametti, M.; Martí-Rujas, J.; Friščić, T.;* Metrangolo, P.;* Resnati, G.; Terraneo, G.* Open versus Interpenetrated: Switchable Supramolecular Trajectories in Mechanosynthesis of a Halogen-Bonded Borromean Network. Chem 2021, 7, 146-154. DOI: 10.1016/j.chempr.2020.10.022

34. Novendra, N.; Marrett, J. M.; Katsenis, A. D.; Titi, H. M.; Arhangelskis, M.; Friščić, T.;* Navrotsky, A.* Linker Substituents Control the Thermodynamic Stability in Metal–Organic Frameworks. J. Am. Chem. Soc. 2020, 142, 21720–21729. DOI: 10.1021/jacs.0c09284

33. Germann, L. S.;* Arhangelskis, M.; Etter, M.; Dinnebier, R. E.; Friščić, T.* Challenging the Ostwald rule of stages in mechanochemical cocrystallisation. Chem. Sci. 2020, 11, 10092-10100. DOI: 10.1039/D0SC03629C.

32. Arhangelskis, M.;^† Topić, F.;^† Hindle, P.; Tran, R.; Morris, A. J.; Cinčić, D.;* Friščić, T.* Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state. Chem. Commun. 2020, 56, 8293-8296. DOI: 10.1039/D0CC02935A.

31. Darby, J. P.;^† Arhangelskis, M.;^† Katsenis, A. D.; Marrett, J. M.; Friščić, T.; Morris, A. J.* Ab Initio Prediction of Metal-Organic Framework Structures. Chem. Mater. 2020, 32, 5835-5844. DOI: 10.1021/acs.chemmater.0c01737.

30. Huskić, I.; M Arhangelskis, M.; Friščić, T.* Solvent-free ageing reactions of rare earth element oxides: From geomimetic synthesis of new metal-organic materials towards a simple, environmentally friendly separation of scandium. Green Chem. 2020, 22, 4364-4375. DOI: 10.1039/D0GC00454E.

29. Zanolla, D.; Hasa, D.; Arhangelskis, M.; Schneider-Rauber, G.; Chierotti M. R.; Keiser, J.; Voicnovich D.;* James, W.; Perissutti, B.* Mechanochemical Formation of Racemic Praziquantel Hemihydrate with Improved Biopharmaceutical Properties. Pharmaceutics 2020, 12, 289. DOI: 10.3390/pharmaceutics12030289.

28. Speight, I. R.; Huskić, I.; Arhangelskis, M.; Titi, H. M.; Stein, R. S.; Hanusa, T.;* Friščić, T.* Disappearing polymorphs in metal‐organic framework chemistry: unexpected stabilization of a layered polymorph over an interpenetrated 3‐dimensional structure in mercury imidazolate. Chem. Eur. J. 2020,26, 1811-1818. DOI: 10.1002/chem.201905280.

27. Ayoub, G.; Arhangelskis, M.; Zhang, X.; Son, F.; Islamoglu, T.; Friščić, T;* Farha, O.* Air oxidation of sulfur mustard gas simulants using a pyrene-based metal–organic framework photocatalyst. Beilstein J. Nanotechnol. 2019, 10, 2422–2427. DOI: 10.1002/10.3762/bjnano.10.232.

26. Topić, F.; Lisac, K., Arhangelskis, M.; Rissanen, K.; Cinčić, D.;* Friščić, T.* Cocrystal trimorphism as a consequence of the orthogonality of halogen- and hydrogen-bonds synthons. Chem. Commun. 2019, 55, 14066-14069. DOI: 10.1039/C9CC06735C.

25. Titi, H. M.; Arhangelskis, M.; Rachiero, G.P.; Friščić, T.;* Rogers, R. D.* Hypergolic Triggers as Co‐crystal Formers: Co‐crystallization for Creating New Hypergolic Materials with Tunable Energy Content. Angew. Chem. Int. Ed. 2019, 58, 18399-18404. DOI: 10.1002/anie.201908690.

24. Titi, H. M.; Arhangelskis, M.; Katsenis, A. D.; Mottillo, C.; Ayoub, G.; Do, J.-L.; Fidelli, A. M.; Rogers, R. D.;* Friščić, T.* Metal-Organic Frameworks (MOFs) as Fuels for Advanced Applications: Evaluating and Modifying the Combustion Energy of Popular MOFs. Chem. Mater. 2019, 31, 4882-4888. DOI: 10.1021/acs.chemmater.9b01488.

23. Arhangelskis, M.;^† Katsenis, A. D.;^† Novendra, N.; Akimbekov, Z.; Gandrath, D.; Marrett, J. M.; Ayoub, G.; Morris, A. J.; Farha, O. K.; Friščić, T.;* Navrotsky, A.* Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework. Chem. Mater. 2019, 31, 3777-3783. DOI: 10.1021/acs.chemmater.9b00994.

22. Hasa, D.;* Pastore, M.; Arhangelskis, M.; Gabriele, B.; Cruz-Cabeza, A. J.;* Rauber, G. S.; Bond, A. D.; Jones, W. On the Kinetics of Solvate Formation through Mechanochemistry. CrystEngComm 2019, 21, 2097–2104. DOI: 10.1039/C8CE00871J.

21. Titi, H. M.; Marrett, J. M.; Dayaker, G.; Arhangelskis, M.; Mottillo, C.; Morris, A. J.; Rachiero, G. P.; Friščić, T.;* Rogers, R. D.* Hypergolic Zeolitic Imidazolate Frameworks (ZIFs) as next-Generation Solid Fuels: Unlocking the Latent Energetic Behavior of ZIFs. Sci. Adv. 2019, 5, eaav9044. DOI: 10.1126/sciadv.aav9044.

20. Thakuria, R.;* Arhangelskis, M.; Eddleston, M. D.; Chow, E. H. H.; Sarmah, K. K.; Aldous, B. J.; Krzyzaniak, J. F.; Jones, W.* Cocrystal Dissociation under Controlled Humidity: A Case Study of Caffeine–Glutaric Acid Cocrystal Polymorphs. Org. Process Res. Dev. 2019, 23, 845–851. DOI: 10.1021/acs.oprd.8b00422.

19. Lisac, K.; Topić, F.; Arhangelskis, M.; Cepić, S.; Julien, P. A.; Nickels, C. W.; Morris, A. J.; Friščić, T.;* Cinčić, D.* Halogen-Bonded Cocrystallization with Phosphorus, Arsenic and Antimony Acceptors. Nat. Commun. 2019, 10, 61. DOI: 10.1038/s41467-018-07957-6.

18. Arhangelskis, M.;* Jochym, D. B.; Bernasconi, L.; Friščić, T.; Morris, A. J.;* Jones, W. Time-Dependent Density-Functional Theory for Modeling Solid-State Fluorescence Emission of Organic Multicomponent Crystals. J. Phys. Chem. A 2018, 122, 7514–7521. DOI:10.1021/acs.jpca.8b03481.

17. Zhang, Y.; Lucier, B. E. G.; McKenzie, S. M.; Arhangelskis, M.; Morris, A. J.; Friščić, T.; Reid, J. W.; Terskikh, V. V; Chen, M.; Huang, Y.* Welcoming Gallium- and Indium-Fumarate MOFs to the Family: Synthesis, Comprehensive Characterization, Observation of Porous Hydrophobicity, and CO₂ Dynamics. ACS Appl. Mater. Interfaces 2018, 10, 28582–28596. DOI: 10.1021/acsami.8b08562.

16. Diez, S. J.; Eddleston, M. D.; Arhangelskis, M.; Milbled, M.; Müller, M. J.; Bond, A. D.; Bučar, D.-K.;* Jones, W.* Crystallization at Solvent Interfaces Enables Access to a Variety of Cocrystal Polymorphs and Hydrates. Cryst. Growth Des. 2018, 18, 3263–3268. DOI: 10.1021/acs.cgd.8b00114.

15. Mohamed, S.;* Alwan, A. A.; Friščić, T.; Morris, A. J.; Arhangelskis, M. Towards the Systematic Crystallisation of Molecular Ionic Cocrystals: Insights from Computed Crystal Form Landscapes. Faraday Discuss. 2018, 211, 401–424. DOI: 10.1039/C8FD00036K.

14. Sarmah, K. K.; Sarma, P.; Rao, D. R.; Gupta, P.; Nath, N. K.; Arhangelskis, M.;* Thakuria, R.* Mechanochemical Synthesis of Olanzapine Salts and Their Hydration Stability Study Using Powder X-Ray Diffraction. Cryst. Growth Des. 2018, 18, 2138–2150. DOI: 10.1021/acs.cgd.7b01593.

13. Lisac, K.; Nemec, V.; Topić, F.; Arhangelskis, M.; Hindle, P.; Tran, R.; Huskić, I.; Morris, A. J.; Friščić, T.;* Cinčić, D.* Experimental and Theoretical Investigation of Structures, Stoichiometric Diversity, and Bench Stability of Cocrystals with a Volatile Halogen Bond Donor. Cryst. Growth Des. 2018, 18, 2387–2396. DOI: 10.1021/acs.cgd.7b01808.

12. Arhangelskis, M.; Katsenis, A. D.; Morris, A. J.; Friščić, T.* Computational Evaluation of Metal Pentazolate Frameworks: Inorganic Analogues of Azolate Metal–Organic Frameworks. Chem. Sci. 2018, 9, 3367–3375. DOI: 10.1039/C7SC05020H.

11. Akimbekov, Z.; Katsenis, A. D.; Nagabhushana, G. P.; Ayoub, G.; Arhangelskis, M.; Morris, A. J.; Friščić, T.;* Navrotsky, A.* Experimental and Theoretical Evaluation of the Stability of True MOF Polymorphs Explains Their Mechanochemical Interconversions. J. Am. Chem. Soc. 2017, 139, 7952–7957. DOI: 10.1021/jacs.7b03144.

10. Sarmah, K. K.; Boro, K.; Arhangelskis, M.; Thakuria, R.* Crystal Structure Landscape of Ethenzamide: A Physicochemical Property Study. CrystEngComm 2017, 19, 826–833. DOI: 10.1039/C6CE02057G.

9. Arhangelskis, M.; Eddleston, M. D.; Reid, D. G.; Day, G. M.; Bučar, D.-K.; Morris, A. J.; Jones, W.* Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental Study. Chem. Eur. J. 2016, 22, 10065–10073. DOI: 10.1002/chem.201601340.

8. Corpinot, M. K.; Stratford, S. A.; Arhangelskis, M.; Anka-Lufford, J.; Halasz, I.; Judaš, N.; Jones, W.; Bučar, D.-K.* On the Predictability of Supramolecular Interactions in Molecular Cocrystals – the View from the Bench. CrystEngComm 2016, 18, 5434–5439. DOI: 10.1039/C6CE00293E.

7. Eddleston, M. D.;* Arhangelskis, M.; Fábián, L.; Tizzard, G. J.; Coles, S. J.; Jones, W. Investigation of an Amide-Pseudo Amide Hydrogen Bonding Motif within a Series of Theophylline:Amide Cocrystals. Cryst. Growth Des. 2016, 16, 51–58. DOI: 10.1021/acs.cgd.5b00905.

6. Stratford, S. A.; Arhangelskis, M.; Bučar, D.-K.;* Jones, W.* Solid-State Photoreactivity of 9-Substituted Acridizinium Bromide Salts. CrystEngComm 2014, 16, 10830–10836. DOI: 10.1039/C4CE01622J.

5. Madusanka, N.; Eddleston, M. D.; Arhangelskis, M.; Jones, W.* Polymorphs, Hydrates and Solvates of a Co-Crystal of Caffeine with Anthranilic Acid. Acta Crystallogr. 2014, B70, 72–80. DOI: 10.1107/S2052520613033167.

4. Bučar, D.-K.;* Filip, S.; Arhangelskis, M.; Lloyd, G. O.; Jones, W. Advantages of Mechanochemical Cocrystallisation in the Solid-State Chemistry of Pigments: Colour-Tuned Fluorescein Cocrystals. CrystEngComm 2013, 15, 6289–6291. DOI: 10.1039/c3ce41013g.

3. Eddleston, M. D.; Arhangelskis, M.; Friščić, T.; Jones, W.* Solid State Grinding as a Tool to Aid Enantiomeric Resolution by Cocrystallisation. Chem. Commun. 2012, 48, 11340–11342. DOI: 10.1039/c2cc36130b.

2. Arhangelskis, M.; Lloyd, G. O.;* Jones, W.* Mechanochemical Synthesis of Pyrazine:Dicarboxylic Acid Cocrystals and a Study of Dissociation by Quantitative Phase Analysis. CrystEngComm 2012, 14, 5203–5208. DOI: 10.1039/c2ce25121c.

1. Belyakov, S.;* Arhangelskis, M.; Zielonka, M.; Erchak, N. Crystal Structure of 1-(N-Morpholiniomethyl)Spirobi(4-Methyl-3-Oxo- 2,5-Dioxa-1-Silacyclopentan)Ate Dihydrate, C₁₁H₁₉NO₇Si · 2H₂O. Z. Kristallogr. 2011, 226, 237–238. DOI: 10.1524/ncrs.2011.0108.