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Publications


  1. “Vibrational Davydov-Splittings and Collective Mode Polarizations in Oriented Organic Semiconductor Crystals.” T. Breuer, M. Celik, P. Jakob, R. Tonner, G. Witte, J. Phys. Chem. C 116, 14491–14503 (2012) online (DOI); Correction online (DOI)

  2. “A DFT-D Study of Structural and Energetic Properties of TiO2 modifications.” J. Möllmann, S. Ehrlich, R. Tonner, S. Grimme, J. Physics B, Condensed Matter 24, 424206 (2012) online (DOI)

  3. “Stability of Gas-Phase Tartaric Acid Anions Investigated by Quantum-Chemistry, Mass Spectrometry, and Infrared Spectroscopy.” R. Tonner, P. Schwerdtfeger, A. L. May, J. D. Steill, G. Berden, J. Oomensm, S. R. Campagna, R. N. Compton, J. Phys. Chem. A 116, 4789–4800 (2012) online (DOI)

  4. “Understanding the Regioselectivity in Scholl Reactions for the Synthesis of Oligoarenes.” M. Danz, R. Tonner, G. Hilt, Chem. Comm. 48, 377 (2011) online (DOI)

  5. “Carbodiphosphorane-analogues E(PPh3)2 with E = C–Pb. A theoretical study with implications for ligand design.” N. Takagi, R. Tonner, G. Frenking, Chem.-Eur. J. 18, 1772–1780 (2012) online (DOI)

  6. “Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and Their Applications in Ruthenium-Catalyzed Olefin Metathesis.” J. Bouffard, B. K. Keitz, R. Tonner, V. Lavallo, G. Guisado-Barrios, G. Frenking, R. H. Grubbs, G. Bertrand, Organometallics 30, 2617–2627 (2011) online (DOI)

  7. “N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals.” O. Back, B. Donnadieu, M. von Hopffgarten, S. Klein, R. Tonner, G. Frenking, G. Bertrand, Chemical Sciences 2, 858–861 (2011) online (DOI) (front page)

  8. “Carbodicarbenes—divalent carbon(0) compounds exhibiting carbon–carbon donor–acceptor bonds.” R. Tonner, G. Frenking, WIREs CMS 1, 869–878 (2011) online (DOI)

  9. Antwort zum Kommentar auf “Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid.” R. Tonner, V. A. Soloshonok, P. Schwerdtfeger, Phys. Chem. Chem. Phys. 13, 4161–4162 (2011) online (DOI)

  10. “Packed to the Rafters: Filling up C60 with Rare Gas Atoms.” R. Tonner, G. Frenking, M. Lein, P. Schwerdtfeger, ChemPhysChem 12, 2081–2084 (2011) online (DOI)

  11. “Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid.” R. Tonner, V. A. Soloshonok, P. Schwerdtfeger, Phys. Chem. Chem. Phys. 13, 811–817 (2011) online (DOI)
    Titelseite für das Themenheft “Homochirality and the origin of life.”

  12. “Gallium Halides as Alternative Ligands to CO and N2 in Transition-Metal Complexes: A Bonding Analysis.” J. A. Gámez, R. Tonner, G. Frenking, Organometallics 29, 5676–5680 (2010) online (DOI)

  13. “P-Heterocyclic Carbenes as Effective Catalysts for the Activation of Single and Multiple Bonds. A Theoretical Study” M. Rullich, R. Tonner, G. Frenking, New. J. Chem. 34, 1760–1773 (2010) online (DOI)

  14. “Isolation of a Low-Coordinate Rhodium Phosphine Complex Formed by C–C Bond Activation of Biphenylene.” A. B. Chaplin, R. Tonner, A. S. Weller, Organometallics 29, 2710–2714 (2010) online (DOI)

  15. “Carbodicarbenes and Related Divalent Carbon(0) Compounds.” S. Klein, R. Tonner, G. Frenking, Chem. Eur. J. 16, 10160–10170 (2010) online (DOI)

  16. “Adsorption of Proline and Glycine on the TiO2(110) Surface: A Density Functional Theory Study.” R. Tonner, ChemPhysChem 11 (5), 1053–1061 (2010) online (DOI)

  17. “Reaction of Double Ylide C(PPh3)2 with [W(CO)6] – Crystal Structures of [(CO)5W(CCPPh3)] and [(CO)5W{η1-O2C2(PPh3) 2}] and Bonding Analyses of [TM(CCPR3)] Compounds.” W. Petz, B. Neumüller, R. Tonner, Eur. J. Inorg. Chem. 12, 1872–1880 (2010) online (DOI)

  18. “A Systematic Density Functional and Wavefunction Based Study on Dicarboxyl Dianions -O2C-R-CO2- with R=C2, C2X2, C2X4, and C6X4 (X=H, F).” R. Tonner, M. Lein, R. Wesendrup, P. Schwerdtfeger, TheoChemAcc 126 (3-4), 129–138 (2010) online (DOI)

  19. “Carbodiphosphorane C(PPh3)2 as Single and Twofold Lewis Base with Boranes: Synthesis, Crystal Structures and Theoretical Studies of [H3B{C(PPh3)2}] and [{(μ-H)H4B2}{C(PPh3)2}] +.” W. Petz, F. Öxler, B. Neumüller, R. Tonner, G. Frenking, Eur. J. Inorg. Chem. 29-30, 4507–4517 (2009) online (DOI)

  20. “Tolman’s Electronic Parameters for Divalent Carbon(0) Compounds.” R. Tonner, G. Frenking, Organometallics 28, 3901–3905 (2009) online (DOI)

  21. “Divalent carbon(0) compounds.” R. Tonner; G. Frenking, Pure Appl. Chem. 81, 597–614 (2009) online (DOI)

  22. “π-Bonding in the Complexes of Benzannulated Biscarbenes, -germylenes and -stannylenes: An Experimental and Theoretical Study.” F. E. Hahn, A. V. Zabula, T. Pape, A. Hepp, R. Tonner, R. Haunschild, G. Frenking, Chemistry – A European Journal 14, 10716–10721 (2008) online (DOI)

  23. “First and Second Proton Affinites of Carbon Bases.” R. Tonner, G. Heydenrych, G. Frenking, ChemPhysChem 9, 1474–1481 (2008) online (DOI)

  24. “Molecular electrostatic potentials of divalent carbon(0) compounds.” M. M. Deshmukh, S.R. Gadre, R. Tonner; G. Frenking, PCCP 10, 2298–2301 (2008) online (DOI)

  25. “Are carbodiphoshoranes better ligands than N-heterocyclic carbenes for Grubb’s catalysts?” R. Tonner, G. Frenking, Chem. Comm. 13, 1584–1586 (2008) online (DOI)

  26. “Divalent Carbon(0) Chemistry. Part 2: Protonation and Complexes With Main Group and Transition Metal Lewis Acids.” R. Tonner, G. Frenking, Chemistry – A European Journal 14, 3273–3289 (2008) online (DOI)

  27. “Divalent Carbon(0) Chemistry. Part 1: Parent Compounds.” R. Tonner, G. Frenking, Chemistry – A European Journal 14, 3260–3272 (2008) online (DOI)

  28. “The ABCs of Multiple Bonding.” R. Tonner, G. Frenking, Science 318, 746 (2007) online (DOI)

  29. “Bonding Analysis of N-Heterocyclic Carbene Tautomers and Phosphine Ligands in Transition-Metal Complexes: A Theoretical Study.” R. Tonner, G. Heydenrych, G. Frenking, Chemistry – An Asian Journal 2, 1555–1567 (2007) online (DOI)
    Most Cited Research article 2007-2008

  30. “(Ph4P)2[Be2F6]•2CH3CN: Synthese, Schwingungsspektrum, Kristallstruktur und quantenchemische Rechnungen.” R. Tonner, G. Frenking, B. Neumüller, K. Dehnicke, Zeitung für allgemeine und anorganische Chemie 8, 1183 (2007) online (DOI)

  31. “C(NHC)2: zweibindige Kohlenstoff(0)-Verbindungen mit N-heterocyclischen Carbenliganden – theoretische Belege für eine Molekümasse mit vielversprechenden Eigenschaften.” R.Tonner, G. Frenking, Angew. Chem. 119, 8850 (2007) online (DOI); Angew. Chem. Int. Ed. 46, 8695 (2007) online (DOI)

  32. “Theoretical chemistry: The six-bond bound.” G. Frenking, R. Tonner, Nature 446 (7133), 276–277 (2007) online (DOI)

  33. “Reply to Réplique: A New Concept for Bonding in Carbodiphosphoranes?” G. Frenking, B. Neumüller, W. Petz, R. Tonner, R. Öxler, Angewandte Chemie 119 (17), 3044–3045 (2007) online (DOI)

  34. “Carbodiphosphorane: die Chemie von zweibindigem Kohlenstoff(0).” R. Tonner, F. Öxler, B. Neumüller, W. Petz, G. Frenking, Angewandte Chemie, 118 (47), 8206 (2006) online (DOI); Angewandte Chemie, Int. Ed. 45 (47), 8038–8042 (2006) online (DOI); Highlight in: Science 314, 1050 (2006) / C&EN 85, 37 (2007) / Nach. Chem. 55, 7 (2007)

  35. “Computational Chemistry.” R. Tonner, G. Frenking, High Performance Computing in Science and Engineering ’05. Eds. W. Nagel, W. Jäger, M. Resch, Springer: Berlin, Heidelberg, 245–256 (2006) ISBN-10: 3540283773 / ISBN-13: 978-3540283775 Google books

  36. “Extension of the Lennard-Jones potential: Theoretical investigations into rare-gas clusters and crystal lattices of He, Ne, Ar, and Kr using many-body interaction expansions.” P. Schwerdtfeger, N. Gaston, R. P. Krawczyk, R. Tonner, G. E. Moyano, Physical Review B 73 (6), (2006) online (DOI) online

  37. “Density functional calculations for static dipole interaction polarizabilities of NeN cluster up to N < 30.” R. Tonner, P. Schwerdtfeger, Lecture Series on Computer and Computational Sciences 3, (In the Frontiers of Computational Science), 223–228 (2005) ISBN-13: 9789067644426 offline

  38. “Experimental and Theoretical Studies of Carbodiphosphorane–CX2Aadducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W).” W. Petz, C. Kutschera, M. Heitbaum, G. Frenking, R. Tonner, B. Neumüller, Inorganic Chemistry 44 (5), 1263–1274 (2005) online (DOI)

Zuletzt aktualisiert: 06.11.2012 · Reuti

 
 
 
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