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Publications Dr. Oldamur Hollóczki

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54. O. Hollóczki, R. Macchieraldo, B. Gleede, S. R. Waldvogel, B. Kirchner, Interfacial Domain Formation Enhances Electrochemical Synthesis, J. Phys. Chem. Lett. (2019) ,10, 1192–1197. DOI: 10.1021/acs.jpclett.9b00112
53. M. A. Ortuño, O. Hollóczki, B. Kirchner, N. López, Selective Electrochemical Nitrogen Reduction Driven by Hydrogen Bond Interactions at Metal–Ionic Liquid Interfaces, J. Phys. Chem. Lett. (2019),10, 513-517. DOI: 10.1021/acs.jpclett.8b03409
52. O. Hollóczki, Toward Anionic Structural Diffusion and Highly Conducting Ionic Liquid Electrolytes, ACS Sust. Chem. Eng. (2018), tba. DOI: 10.1021/acssuschemeng.8b05668
51. J. Blasius, E. Perlt, J. Ingenmey, M. von Domaros, O. Hollóczki, B. Kirchner, Predicting mole fraction dependent dissociation for weak acids, Angew. Chem. Int. Ed., tba. DOI: 10.1002/anie.201811839
J. Blasius, E. Perlt, J. Ingenmey, M. von Domaros, O. Hollóczki, B. Kirchner, Dissoziation schwacher Säuren über den gesamten Molenbruchbereich, Angew. Chem., tba. DOI: 10.1002/ange.201811839
50. S. Gehrke, W. Reckien, I. Palazzo, T. Welton, O. Hollóczki, On the Carbene-like Reactions of Imidazolium Acetate Ionic Liquids. Can Theory and Experiments Agree?, Eur. J. Org. Chem. (2019), 2019, 504-511. DOI: 10.1002/ejoc.201801050



49. D. Riemer, W. Schilling, A. Goetz, Y. Zhang, S. Gehrke, I. Tkach, O. Hollóczki S. Das, CO2-Catalyzed Efficient Dehydrogenation of Amines with Detailed Mechanistic and Kinetic Studies, ACS Catal. (2018), 8, 11679-11687. DOI: 10.1021/acscatal.8b03059
48. O. Hollóczki, A. Wolff, J. Pallmann, R. Whiteside, J. Hartley, M. A. Grasser, P. Nockemann, E. Brunner, T. Doert, M. Ruck,  Spontaneous Substitutins on Phosphorus Trihalides in Imidazolium Halide Ionic Liquids: A Grotthus Diffusion of Anions?, Chem. Eur. J. (2018), 24, 16323-16331. DOI: 10.1002/chem.201803558
47. S. Gehrke, O. Hollóczki, Hydrogen Bonding of N-heterocyclic Carbenes in Solution: Mechanisms of Solvent Reorganization, Chem. Eur. J. (2018), 24, 11594-11604 DOI: 10.1002/chem.201802286
46. C. Smith, S. Gehrke, O. Hollóczki, D. Wagle, M. Heitz, G. Baker, NMR relaxometric probing of ionic liquid dynamics and diffusion under mesoscopic confinement within bacterial cellulose ionogels, J. Chem. Phys. (2018), 144, 19385. DOI: 10.1063/1.5016337
45. S. Gehrke, M. von Domaros, R. Clark, O. Hollóczki, M. Brehm, T. Welton, A. Luzar, B. Kirchner, Structure and lifetimes in ionic liquids and their mixtures, Faraday Discuss. (2018), 206, 219-245. DOI: 10.1039/C7FD00166E



44. R. Elfgen, O. Hollóczki, B. Kirchner, A Molecular Level Understanding of Template Effects in Ionic Liquids, Acc. Chem. Res. (2017), 50, 2949-2957. DOI: 10.1021/acs.accounts.7b00436
44. S. Gehrke, O. Hollóczki, Are There Carbenes in N-heterocyclic Carbene Organocatalysis?, Angew. Chem. Int. Ed. (2017), 51, 16395-16398. DOI: 10.1002/anie.201708305
42. D. S. Firaha, A. V. Gibalova, O. Hollóczki, Basic Phosphonium Ionic Liquids as Wittig Reagents, ACS Omega (2017) 2, 2901-2911. DOI: 10.1021/acsomega.7b00230
41. S. Gehrke, K. Schmitz, O. Hollóczki, Is Carbene Formation Necessary for Dissolving Cellulose in Ionic Liquids?, J. Phys. Chem. B (2017), 121, 4521-4529. DOI: 10.1021/acs.jpcb.7b00631
40. O. Hollóczki, A. Berkessel, J. Mars, M. Mezger, A. Wiebe, S. R. Waldvogel, Barbara Kirchner, The Catalytic Effect of Fluoroalcohol Mixtures Depends on Domain Formation, ACS Catal. (2017) 7,  1846–1852. DOI: 10.1021/acscatal.6b03090
39. R. Elfgen, O. Hollóczki, P. Ray, M. F. Groh, M. Ruck, Barbara Kirchner, Theoretical Investigation of the Te4Br2 Molecule in Ionic Liquids, Z. Anorg. Allg. Chem. (2017) 643, 41-52. DOI: 10.1002/zaac.201600342



38. D. S. Firaha, M. Thomas, O. Hollóczki, B. Kirchner, Can dispersion corrections annihilate the dispersion-driven nano-aggregation of non-polar groups? An ab initio molecular dynamics study of ionic liquid systems. , J. Chem. Phys. (2016), 145, 204502. DOI: 10.1063/1.4967861
37. S. Gehrke, O. Hollóczki, A Molecular Mechanical Model for N-heterocyclic Carbenes, Phys. Chem. Chem. Phys. (2016), 18, 22070. DOI:
Inside Back Cover of the Journal in issue 1 of 2016 (Link)
36. O. Hollóczki, Unveiling the peculiar hydrogen bonding behavior of solvated N-heterocyclic carbenes, Phys. Chem. Chem. Phys. (2016), 18, 126. DOI: 10.1039/C5CP05369B
Inside Back Cover of the Journal in issue 1 of 2016 (Link)



35. B. Kirchner, F. Malberg, D. S. Firaha, O. Hollóczki, Ion pairing in ionic liquids, J. Phys.: Condens. Matter, (2015), 27, 463002. DOI: 10.1088/0953-8984/27/46/463002
34. O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner, Triphilic Ionic-Liquid Mixtures: Fluorinated and Nonfluorinated Aprotic Ionic-Liquid Mixtures, ChemPhysChem (2015), 16, 3325-3333. DOI: 10.1002/cphc.201500473
33. M. Brehm, H. Weber, M. Thomas, O. Hollóczki, B. Kirchner, Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids, ChemPhysChem (2015), 16, 3271-3277. DOI: 10.1002/cphc.201500471
32. F. Malberg, O. Hollóczki, M. Thomas, B. Kirchner, En route formation of ion pairs at the ionic liquid–vacuum interface, Struct. Chem. (2015), 26, 1343-1349. DOI: 10.1007/s11224-015-0662-0
31. K. Banert, M. Hagedorn, T. Pester, N. Siebert, C. Staude, I. Tchernook, K. Walczak, O. Hollóczki, J. Friedrich, Rearrangement Reactions of Tritylcarbenes: Surprising Ring Expansion and Computational Investigation, Chem. Eur. J. (2015), 21, 14911. DOI: 10.1002/chem.201501352
30. S. Kobialka, C. Müller-Tautges, M. T. S. Schmidt, G. Schnakenburg, O. Hollóczki, B. Kirchner, M. Engeser, Stretch Out or Fold Back? Conformations of Dinuclear Gold(I) N-Heterocyclic Carbene Macrocycles, Inorg. Chem. (2015), 54, 6100-6111. DOI: 10.1021/ic502751s
29. D. S. Firaha, O. Hollóczki, B. Kirchner, Computer-Aided Design of Ionic Liquids as CO2 Absorbents, Angew. Chem. Int. Ed., (2015), 54, 7805-7809. DOI: 10.1002/anie.201502296
D. S. Firaha, O. Hollóczki, B. Kirchner, Computer-gestütztes Design ionischer Flüssigkeiten zur CO2-Absorption, Angew. Chem., (2015), 127, 7916-7920. DOI: 10.1002/ange.201502296
Highlighted as "HOT paper"
28. B. Kirchner, O. Hollóczki, J. N. Canongia Lopes, A. A. H. Pádua, Multiresolution calculation of ionic liquids, WIREs Comp. Mol. Sci., (2015), 5, 202-214. DOI: 10.1002/wcms.1212



27. Z. Kelemen, B. Péter-Szabo, E. Székely, O. Hollóczki, D. S. Firaha, B. Kirchner, J. Nagy, L. Nyulászi, An Abnormal N-Heterocyclic Carbene-Carbon Dioxide Adduct from Imidazolium Acetate Ionic Liquids: The Importance of Basicity, Chem. Eur. J. (2014), 20, 13002-13008. DOI: 10.1002/chem.201402912
26. M. Thomas, M. Brehm, O. Hollóczki, Z. Kelemen, L. Nylászi, T. Pasinszki, B. Kirchner, Simulating the vibrational spectra of ionic liquid systems: 1-Ethyl-3-methylimidazolium acetate and its mixtures, J. Chem. Phys. (2014), 141, 024510. DOI: 10.1063/1.4887082
25. O. Hollóczki, F. Malberg, T. Welton, B. Kirchner, On the origin of ionicity in ionic liquids. Ion pairing versus charge transfer, Phys. Chem. Chem. Phys. (2014), 16, 16880 - 16890. DOI: 10.1039/C4CP01177E
Perspective Article
24. F. Malberg, J. G. Brandenburg, W. Reckien, O. Hollóczki, S. Grimme, B. Kirchner, Substitution effect and effect of axle's flexibility at (pseudo-)rotaxanes, Beilstein J. Org. Chem. (2014), 10, 1299-1307. DOI: 10.3762/bjoc.10.131
23. O. Hollóczki, Uranyl(VI) Complexes from Imidazolium Acetate Ionic Liquids: Carbenes versus Acetates?, Inorg. Chem. (2014), 53, 835. DOI: 10.1021/ic402921b
22. M. Thomas, M. Brehm, O. Hollóczki, B. Kirchner, How Can a Carbene be Active in an Ionic Liquid?, Chem. Eur. J. (2014), 20,1622-1629. DOI: 10.1002/chem.201303329
21. O. Hollóczki, Carbon-dioxide in Ionic Liquids: Cation-CO2 Interactions, and their Relevance, Magyar Kémiai Folyóirat (2014), 120, 10.
20. S. Zahn, M. Brehm, M. Brüssel, O. Hollóczki, M. Kohagen, S. Lehmann, F. Malberg, A. S. Pensado, M. Schöppke, H. Weber, B. Kirchner, Understanding ionic liquids from theoretical methods, J. Mol. Liq. (2014), 192, 71-76. DOI: 10.1016/j.molliq.2013.08.015
19. O. Hollóczki, L. Nyulászi, Carbenes from Ionic Liquids, Top. Curr. Chem. (2014), 351, 1. DOI: 10.1007/128_2012_416



18. Z. Kelemen, O. Hollóczki, J. Nagy, L. Nyulászi, Reactive Ionic Liquids as Organocatalysts, Magyar Kémikusok Lapja, (2013), 68, 224.
17. S. D. Hojniak, A. L. Khan, O. Hollóczki, B. Kirchner, I. F. J. Vankelecom, W. Dehaen, K. Binnemans, Separation of Carbon Dioxide from Nitrogen or Methane by Supported Ionic Liquid Membranes (SILMs): Influence of the Cation Charge of the Ionic Liquid, J. Phys. Chem. B, (2013), 117, 15131-15140. DOI:10.1021/jp409414t
16. F. Malberg, M. Brehm, O. Hollóczki, A. S. Pensado, B. Kirchner, Understanding the evaporation of ionic liquids using the example of 1-ethyl-3-methylimidazolium ethylsulfate, Phys. Chem. Chem. Phys., (2013), 15, 18424-18436. DOI:10.1039/c3cp52966e
15. H. Weber, O. Hollóczki, A. S. Pensado, B. Kirchner, Side chain fluorination and anion effect on the structure of 1-butyl-3-methylimidazolium ionic liquids, J. Chem. Phys., (2013), 139, 084502. DOI:10.1063/1.4818540
14. Z. Kelemen, O. Hollóczki,, J. Oláh, L. Nyulászi, The Stability of Oxazole-2-ylidene. A new Class of Carbenes?, RSC Adv. (2013), 3, 790. DOI: 10.1039/C3RA41177J
13. O. Hollóczki, D. S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, B. Kirchner, Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?, J. Phys. Chem. B, (2013), 117, 5898-5907. DOI:10.1021/jp4004399
12. O. Hollóczki, Z. Kelemen, L. Könczöl, D. Szieberth, L. Nyulászi, A. Stark, B. Kirchner, Significant cation effects in carbon dioxide - ionic liquid systems, ChemPhysChem, (2013), 14, 315-320. DOI:10.1002/cphc.201200970



11. O. Hollóczki, Z. Kelemen, L. Nyulászi, On the Organocatalytic Activity of N- Heterocyclic Carbenes – the Role of Sulphur in Thiamine, J. Org. Chem. (2012) 77, 6014 . DOI: 10.1021/jo300745e



10. O. Hollóczki, L. Nyulászi, Analogy between Sulfuryl and Phosphino Groups – the Aromaticity of Thiophene-oxide, Struct. Chem. (2011), 22, 1385. DOI: 10.1021/jo300745e
9. Z. Kelemen, O. Hollóczki, J. Nagy, L. Nyulászi, An organocatalytic ionic liquid, Org. Biomol. Chem. (2011), 9, 5362. DOI: 10.1039/C1OB05639E
Highlighted as one of the ten "most accessed" articles of the journal in June and July 2011; also featured in the top 10% of the most highly cited articles in 2011-2012
8. J. Heinicke, B. R. Aluri, B. Niaz, S. Burck, D. Gudat, M. Niemeyer, O. Hollóczki, L. Nyulászi, P. G. Jones, Ambident Reactivity of P=CH-N-Heterocycles: Lithiation and Substitution Sites, Phosph. Sulf. Rel. Elem. (2011), 186, 683. DOI: 10.1080/10426507.2010.514486
7. O. Hollóczki, L. Nyulászi, Neutral species from "non-protic" N-heterocyclic ionic liquids, Org. Biomol. Chem. (2011), 9, 2634. DOI: 10.1039/c1ob00007a
Highlighted as "HOT article"
6. O. Hollóczki, P. Terleczky, D. Szieberth, G. Mourgas, D. Gudat, L. Nyulászi, Hydrolysis of Imidazole-2-ylidenes, J. Am. Chem. Soc. (2011), 133, 780. DOI: 10.1021/ja103578y



5. O. Hollóczki, L. Nyulászi, D. Gerhard, K. Massone, L. Szarvas, B. Németh, T. Veszprémi, Carbenes in Ionic Liquids, New J. Chem. (2010), 34, 3004. DOI: 10.1039/C0NJ00380H



4. B. R. Aluri, S. Burck, D. Gudat, M. Niemeyer, O. Hollóczki, L. Nyulászi, P. Jones, J. Heinicke, Ambident PCN- Heterocycles: N- and P-Phosphanylation of Lithium 1,3-Benzazaphospholides, Chem. Eur. J. (2009), 15, 12263. DOI: 10.1002/chem.200901753
3. O. Hollóczki, L. Nyulászi, Stability and Structure of Carbene-Derived Neutral Penta- and Hexacoordinate Silicon Complexes, Organometallics (2009), 28, 4159. DOI: 10.1021/om9002768



2. O. Hollóczki, L. Nyulászi, Stabilizing the Hammick Intermediate, J. Org. Chem. (2008), 73, 4794. DOI: 10.1021/jo8000035



1. L. Nyulászi, O. Hollóczki, O. Lescop, M. Hissler, R. Réau, An aromatic – antiaromatic switch in P-heteroles. A Small Change in Delocalisation Makes a Big Reactivity Difference, Organic and Biomolecular Chemistry (2006), 4, 996. DOI: 10.1039/B516836H