Solvation Science @ RUB
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Most Relevant Publications of the Research Areas

Research Area A “Understanding and Exploiting Solvation in Chemical Processes”

1. A. Metzelthin, E. Sánchez-García, Ö. Birer. G. Schwaab, W. Thiel, W. Sander, M. Havenith, Acetylene furan trimer formation at 0.37 K as a model for ultracold aggregation of non- and weakly polar molecules, ChemPhysChem. 12, 2009 (2011).
2. S. Pollak, S. Kareth, A. Kilzer, M. Petermann, Thermal analysis of the droplet solidification in the PGSS-process, Elsevier, J. Supercrit. Fluids, 56, 299 (2011).
3. H. Forbert, M. Masia, A. Kaczmarek-Kedziera, N.N. Nair, D. Marx, Aggregation-induced chemical reactions: Acid dissociation in growing water clusters, J. Am. Chem. Soc. 133, 4062 (2011).
4. M.-M. Huang, K. Schneiders, P.S. Schulz, P. Wasserscheid, H. Weingärtner, Ion speciation driving chirality transfer in imidazolium-based camphorsulfonate ionic liquids, Phys. Chem. Chem. Phys. 13, 4126 (2011).
5. C. Hättig, D.P. Tew, A. Köhn, Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12, J. Chem. Phys. 132, 231102 (2010).
6. P. Neuhaus, W. Sander, Isolation and characterization of the triradical 1,3,5-trimethylenebenzene, Angew. Chem. Int. Ed. 49, 7277 (2010).
7. K. Richter, A. Birkner, A.-V. Mudring: Stabilizer-free, long-time stable copper nanoparticles and copper-zinc oxide nanocomposites via physical vapour deposition into ionic liquids, Angew. Chem. Int. Ed. 49, 2431 (2010).
8. S. Pitula, A.-V. Mudring: Optical basicity of ionic liquids, Phys. Chem. Chem. Phys. 12, 2056 (2010).
9. A. Mardyukov, R. Crespo-Otero, E. Sánchez-García, W. Sander, Photochemistry and reactivity of the phenyl radical – water system: A matrix isolation and computational study, Chemistry Eur. J. 16, 8679 (2010).
10. M. Baer, D. Marx, G. Mathias, Theoretical messenger spectroscopy of microsolvated hydronium and Zundel cations, Angew. Chem. Int. Ed., 49, 7346 (2010).
11. D. A. Bock, C. W. Lehmann, B. List, Crystal structures of proline-derived enamines, Proc. Natl. Acad. Sci. U.S.A. 107, 20636 (2010).
12. A Mardyukov, E. Sánchez-García, R. Crespo-Otero, W. Sander, Interaction and reaction of the phenyl radical with water – a new source of OH radicals, Angew. Chem. Int. Ed. 48, 4804 (2010).
13. A. Gutberlet, G. Schwaab, Ö. Birer, M. Masia, A. Kaczmarek, H. Forbert, M. Havenith, D. Marx Aggregation induced dissociation of HCl (H2O)4 below 1 K: The smallest droplet of acid, Science 324, 1545 (2009).
14. W.H. James III, C.W. Müller, E.G. Buchanan, M.G.D. Nix, L. Guo, L. Roskop, M.S. Gordon, L.V. Slipchenko, S.H. Gellman, T.S. Zwier, Intramolecular amide stacking and its competition with hydrogen bonding in a small foldamer, J. Am. Chem. Soc. 131, 14243 (2009).
15. A. Shubert, C.W. Müller, T.S. Zwier, Water’s role in reshaping a macrocycle’s binding pocket: Infrared and ultraviolet spectroscopy of benzo-15-crown-5-(H2O)n and 4’-aminobenzo-15- crown-5-(H2O)n, n=1, 2, J. Phys. Chem. A 113, 8067 (2009).
16. B. Mallick, B. Balke, C. Felser, A.-V. Mudring: Dysprosium room tempe-rature ionic liquids exhibiting strong luminescence and response to magnetic fields, Angew. Chem. Int. Ed. 47, 7635 (2008).
17. W. Sander, D. Grote, S. Kossmann, F. Neese, 2,3,5,6-Tetrafluorophenyl-nitren-4-yl: EPR spectroscopic characterization of a quartet ground state nitreno radical, J. Am. Chem. Soc. 130, 4396 (2008).
18. R. Crespo-Otero, E. Sánchez-García, R. Suardíaz, L.A. Montero, W. Sander, Ab Initio study of the interactions between simple radicals and water, Chem. Phys. 353, 193 (2008).
19. H. Weingärtner, Understanding ionic liquids at the molecular level: Facts, problems and controversies, Angew. Chem. 47, 654 (2008).
20. J.W. Yang, C. Chandler, M. Stadler, D. Kampen, B. List, Proline-Catalyzed Mannich Reactions of Acetaldehyde, Nature 452, 453 (2008).
21. M. Masia, H. Forbert, D. Marx, Connecting structure to infrared spectra of molecular and autodissociated HCl-water aggregates, J. Phys. Chem. A 111, 12181 (2007).
22. M. Ortlieb, Ö. Birer, M. Letzner, G.W. Schwaab, M. Havenith, Observation of ro-vibrational transitions of HCl, (HCl)2 and H2O-HCl in liquid He nanodroplets, J. Phys. Chem. A 111, 12192 (2007).
23. I. Krossing, J. Slattery, C. Daguenet, P. Dyson, A. Oleinikova, H. Weingärtner, Why are ionic liquids liquid? A simple explanation based on lattice and solvation energies, J. Am. Chem. Soc. 128, 13427 (2006).
24. S. Mayer, B. List, Asymmetric Counteranion-Directed Catalysis, Angew. Chem. Int. Ed. 45, 4193 (2006).
25. H. Weingärtner, E.U. Franck, Supercritical water as a solvent, Angew. Chem. Int. Ed. 44, 2672 (2005).
26. O. Asvany, P. Kumar-P., B. Redlich, I. Hegemann, S. Schlemmer, D. Marx, Understanding the Infrared Spectrum of Bare CH5+ , Science 309, 1219 (2005).