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Scientific Publications 2015 — today


  1. “Cyclic Trinuclear Copper(I), Silver(I), and Gold(I) Complexes: A Theoretical Insight.” G. F. Caramori, R. M. Piccoli, M. Segala, A. Munoz-Castro, R. Guajardo-Maturana, D. M. Andrada, G. Frenking, Dalton Trans. 44, 377 (2015). online (DOI)

  2. “Proton-Induced Generation of Remote N-Heterocyclic Carbene-Ru Complex.” T. Fukushima, R, Fukuda, K. Kobayashi, G. F. Caramori, G. Frenking, M. Ehara, K. Tanaka, Chem. Eur. J. 21, 106 (2015). online (DOI)

  3. “Carbon Monoxide Bonding With BeO and BeCO3: Surprisingly High CO Stretching Frequency of OCBeCO3.” M. Chen, Q. Zhang, M. Zhou, D. M. Andrada, G. Frenking, Angew. Chem. 127, 126 (2015) online (DOI); Angew. Chem. Int. Ed. 54, 124 (2015). online (DOI)

  4. “[2.2.2]Paracyclophane, Preference for η6 or η18 Coordination Mode Including Ag(I) and Sn(II): A Survey into the Cation-π Interaction Nature Through Relativistic DFT Calculations.” C. O. Ulloa, M. Ponce-Vargas, R. de Mattos Piccoli, G. F. Caramori, G. Frenking, A. Muñoz-Castro, RSC Advances 5, 7803 (2015). online (DOI)

  5. “Dizinc Cation [Zn2]2+ Trapped In A Homoleptic Metalloid Coordination Environment Stabilized by Dispersion Forces: [Zn2(GaCp*)6][BAr4F]2.” K. Freitag, H. Banh, C. Gemel, P. Jerabek, R. Seidel, G. Frenking, R. A. Fischer, Inorg. Chem. 54, 352 (2015). online (DOI)

  6. “Carbene-Dichlorosilylene Stabilized Phosphinidenes Exhibiting Strong Intramolecular Charge Transfer Transition.” S. Roy, P. Stollberg, R. Herbst-Irmer, D. Stalke, D. M. Andrada, G. Frenking, H. W. Roesky, J. Am. Chem. Soc. 137, 150 (2015). online (DOI)

  7. “The Fate of NHC Stabilized Dicarbon.” D. C. Georgiou, B. D. Stringer, C. F. Hogan, P. J. Barnard, D. J. D. Wilson, N. Holzmann, G. Frenking, J. L. Dutton, Chem. Eur. J. 21, 3377 (2015). online (DOI)

  8. “No Need for a Re-examination of the Electrostatic Notation of the H-Bonding.” G. Frenking and G. Caramori, Angew. Chem. 127, 2632 (2015) online (DOI); Angew. Chem. Int. Ed. 54, 2596 (2015). online (DOI)

  9. “Experimental and Theoretical Studies of the Infrared Spectra and Bonding Properties of NgBeCO3 and a Comparison with NgBeO (Ng = He, Ne, Ar, Kr, Xe).” Q. Zhang, M. Chen, M.Zhou, D. M. Andrada, G. Frenking, J. Phys. Chem A 119, 2543 (2015). online (DOI)

  10. “The σ-aromatic Clusters [Zn3]+ and [Zn2Cu]: Embryonic Brass.” K. Freitag, C. Gemel, P. Jerabek, R. W. Seidel, G. Frenking, H. Banh. K. Dilchert, R. A. Fischer, Angew. Chem. 127, 4445 (2015) online (DOI); Angew. Chem. Int. Ed. 54, 4370 (2015). online (DOI)

  11. “Synthesis, Characterization, and Theoretical Investigation of Two-Coordinate Palladium(0) and Platinum(0) Complexes Utilizing π-Accepting Carbenes.” S. Roy, K. C. Mondal, J. Meyer, B. Niepötter, C. Köhler, R. Herbst-Irmer, D. Stalke, B. Dittrich, D. M. Andrada, G. Frenking, H. W. Roesky, Chem. Eur. J. 21, 9312 (2015). online (DOI)

  12. “The boron-boron triple bond in NHC→B≡B←NHC.” N. Holzmann, M. Hermann, G. Frenking, Chem. Sci. 6, 4089 (2015). online (DOI)

  13. “Peculiar boron startles again.” G. Frenking, Nature 522, 297 (2015). online (DOI)

  14. “Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C–H Activation, and Reversible Cycloaddition of Unsaturated Substrates.” T. J. Hadlington, J. Li, M. Hermann, A. Davey, G. Frenking, C. Jones, Organometallics 34, 3175 (2015). online (DOI)

  15. “Stepwise Synthesis of Siloxane-Substituted Oligoarsanes and Structural Investigation of Alkaline Earth Metal Derivatives.” C. Bimbös, P. Jerabek, I. Nußbruch, G. Frenking and C. von Hänisch, Eur. J. Inorg. Chem. 3264 (2015). online (DOI)

  16. “Bonding situation in silicon complexes [(L)2(Si2)] and [(L)2(Si)] with NHC and cAAC ligands.” N. Holzmann, D.M. Andrada, G. Frenking, J. Organomet. Chem. 792, 139 (2015). online (DOI)

  17. “Reaction Mechanism of the Symmetry-Forbidden [2+2] Addition of Ethylene and Acetylene to Amido-Substituted Digermynes and Distannynes Ph2N—EE—NPh2, (E=Ge, Sn): A Theoretical Study.” L. Zhao, C. Jones and G. Frenking, Chem. Eur. J. 21, 12405 (2015). online (DOI)

  18. “Mono- and di-cationic hydrido boron compounds.” R. S. Ghadwal, C. J. Schürmann, D, M. Andrada, G. Frenking, Dalton Trans. 44, 14359 (2015). online (DOI)

  19. “Formation and Characterization of the Boron Dicarbonyl Complex [B(CO)2].” Q. Zhang, W.-L. Li, C. Xu, M. Chen, M. Zhou, J. Li, D. M. Andrada, G. Frenking, Angew. Chem. 127, 11230 (2015) online (DOI); Angew. Chem. Int. Ed. 54, 11078 (2015). online (DOI)

  20. (Review) “Article Aromaticity of metallabenzenes and related compounds.” I. Fernandez, G. Frenking, G. Merino, Chem. Soc. Rev. 44, 6452 (2015). online (DOI)

  21. “Stabilization of Heterodiatomic SiC Through Ligand Donation: Theoretical Investigation of SiC(L)2 (L=NHCMe, CAACMe, PMe3).” D. M. Andrada and G. Frenking, Angew. Chem. 127, 12494 (2015) online (DOI); Angew. Chem. Int. Ed. 54, 12319 (2015). online (DOI)

  22. “Versatile structures of group 13 metal halide complexes with 4,4’-bipy: from 1D coordination polymers to 2D and 3D metal–organic frameworks.” T. N. Sevastianova, M. Bodensteiner, A. F. Maulieva, E. I. Davydova, A. V. Virovets, E. V. Peresypkina, G. Balázs, C. Graßl, M. Seidl, M. Scheer, G. Frenking, Dalton Trans. 44, 20648 (2015). online (DOI)

  23. “Two-coordinate group 14 element(II) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes.” T. J. Hadlington, M. Hermann, G. Frenking, C. Jones, Chem. Sci. 6, 7249 (2015). online (DOI)

  24. “Role of the cation formal charge in cation–π interaction. A survey involving the [2.2.2]paracyclophane host from relativistic DFT calculations.” A. O. Ortolan, G. F. Caramori, G. Frenking, A. Muñoz-Castro, New J. Chem. 39, 9963 (2015). online (DOI)

  25. “Direct estimate of the internal π-donation to the carbene centre within N-heterocyclic carbenes and related molecules.” D. M. Andrada, N. Holzmann, T. Hamadi, G. Frenking, Beilstein J. Org. Chem. 11, 2727 (2015). online (DOI)

  26. “The barrier to the methyl rotation in Cis-2-butene and its isomerization energy to Trans-2-butene, revisited.” C. F. Matta, S. A. Sadjadi, D. A. Braden, G. Frenking, J. Comput. Chem. 37, 143 (2016). online (DOI)

  27. “The [B3(NN)3]+ and [B3(CO)3]+ Complexes Featuring the Smallest π-Aromatic Species B3+.” J. Jin, G. Wang, M. Zhou, D. M. Andrada, M. Hermann and G. Frenking, Angew. Chem. 128, 2118 (2016) online (DOI); Angew. Chem. Int. Ed. 55, 2078 (2016). online (DOI)

  28. “Observation of Main-Group Tricarbonyls [B(CO)3] and [C(CO)3]+ Featuring a Tilted One-Electron Donor Carbonyl Ligand.” J. Jian, J. Jina, H. Qu, H. Lin, M. Chen, G. Wang, M. Zhou, D. M. Andrada, M. Hermann, G. Frenking, Chem. Eur. J. 22, 2376 (2016). online (DOI)

  29. (Review) “Donor–acceptor bonding in novel low-coordinated compounds of boron and group-14 atoms C–Sn.” G. Frenking, M. Hermann, D. M. Andrada, N. Holzmann, Chem. Soc. Rev. 45, 1129 (2016). online (DOI)

  30. “A Triatomic Silicon(0) Cluster Stabilized by a Cyclic Alkyl(amino) Carbene.” K. C. Mondal, S. Roy, B. Dittrich, D. M. Andrada, G. Frenking, H. W. Roesky, Angew. Chem. 128, 3210 (2016) online (DOI); Angew. Chem. Int. Ed. 55, 3158 (2016). online (DOI)

  31. “The Chemical Bond in C2.” M. Hermann, G. Frenking, Chem. Eur. J. 22, 4100 (2016). online (DOI)

  32. “Proton Affinities of Cationic Carbone Adducts [AC(PPh3)2]+ (A=Halogen, Hydrogen, Methyl) and Unusual Electronic Structures of the Cations and Dications [AC(H)(PPh3)2]2+.” W. Petz, I. Kuzu, G. Frenking, D. M. Andrada, B. Neumüller, M. Fritz, J. E. Münzer, Chem. Eur. J. 22, 8536 (2016). online (DOI)

  33. “Unusually Short Be–Be Distances with and without a Bond in Be2F2 and in the Molecular Discuses Be2B8 and Be2B7.” Z.-H. Cui, W-S. Yang, L. Zhao, Y.-H. Ding, G. Frenking, Angew. Chem. 128, 7972 (2016) online (DOI); Angew. Chem. Int. Ed. 55, 7841 (2016). online (DOI)

  34. “Comparison of Hydrogen and Gold Bonding in [XHX], [XAuX], and Isoelectronic [NgHNg]+, [NgAuNg]+ (X=Halogen, Ng=Noble Gas).” S. J. Grabowski, J. M. Ugalde, D. Andrada and G. Frenking, Chem. Eur. J. 22, 11317 (2016). online (DOI)

  35. “Reaction Mechanism of the Hydrogermylation/Hydrostannylation of Unactivated Alkenes with Two-Coordinate EII Hydrides (E=Ge, Sn): A Theoretical Study.” L. Zhao, M. Hermann, C. Jones, G. Frenking, Chem. Eur. J. 22, 11728 (2016). online (DOI)

  36. “Structural Exploration of Phantom Oligoguanidine from Asymmetric Diamine and Guanidine Hydrochloride.” H. Wang, C. Benke, M. Hermann, G. Frenking, S. Agarwal, Macromol. Chem. Phys. 217, 1834 (2016). online (DOI)

  37. “The Oxygen-Rich Beryllium Oxides BeO4 and BeO6.” Q. Zhanga, P. Jerabek, M. Chen, M. Zhou, and G. Frenking, Angew. Chem. 128, 11021 (2016) online (DOI); Angew. Chem. Int. Ed. 55, 10863 (2016). online (DOI)

  38. “Shedding Light on the Nature of Host–Guest Interactions in PAHs-ExBox4+ Complexes.” G. R. Nagurniak, G. F. Caramori, R. L. T. Parreira, P. A. S. Bergamo, G. Frenking, and A. Munoz-Castro, J. Phys. Chem. C. 120, 15480 (2016). online (DOI)

  39. “The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds.” C. Mohapatra, S. Kundu, A. N. Paesch, R. Herbst-Irmer, D. Stalke, D. M. Andrada, G. Frenking and H. W. Roesky, J. Am. Chem. Soc. 138, 10429 (2016). online (DOI)

  40. “Gilbert Lewis and the Model of Dative Bonding.” M. Hermann, G. Frenking, Structure and Bonding 169, 131 (2016). online (DOI)

  41. “Bonding Analysis in Homo- and Hetero-Trihalide Species: A Charge Displacement Study.” G. Ciancaleoni, M. Arca, G. F. Caramori, G. Frenking, F. S. S. Schneider, V. Lippolis, Eur. J. Inorg. Chem. 3804 (2016). online (DOI)

  42. “Breaking the Isolated Pentagon Rule by Encapsulating Xe2 in C60: The Guest Defines the Shape of the Host.” S. Jalife, S. Mondal, J. L. Cabellos, S. Pan, M. Á. Méndez-Rojas, I. Fernández, G. Frenking, G. Merino, Chemistry Select 1, 2405 (2016). online (DOI)

  43. “Zn⋯Zn interactions at nickel and palladium centers.” K. Freitag, M. Molon, P. Jerabek, K. Dilchert, C. Rösler, R. W. Seidel, C. Gemel, G. Frenking and R. A. Fischer, Chem. Sci. 7, 6413 (2016). online (DOI)

  44. “New Avenues in s-Block Chemistry: Beryllium(0) Complexes.” J. L. Dutton and G. Frenking, Angew. Chem. 128, 13576 (2016) online (DOI); Angew. Chem. Int. Ed. 55, 13380 (2016). online (DOI)



Book Reviews


  1. K. B. Lipkowitz and D. B. Boyd: “Reviews in Computational Chemistry, Vol. 1, VCH Publishers, New York 1990.” in: Angew. Chem. 103, 219 (1991) online (DOI)

  2. D. Heidrich, W. Kliesch, W. Quapp: “Properties of Chemically Interesting Potential Energy Surfaces”, Lecture Notes in Chemistry, Vol. 56, Springer-Verlag, Heidelberg, 1991. In: Angew. Chem. 105, 325 (1993) online (DOI)

  3. J. Reinhold: “Quantentheorie der Moleküle”, Teubner, Stuttgart, 1994. In: Z. Phys. Chem. 194, 273 (1996) online (DOI)

  4. S. Wilson, G. H. F. Diercksen: “Problem Solving in Computational Molecular Science – Molecules in Different Environment”, NATO ASI Series C: Mathematical and Physical Sciences, Volume 500, Kluwer Academic Publishers, Dordrecht, 1997. In: Z. Phys. Chem. 212, 114 (1999) online (DOI)

  5. R. J. Gillespie, P. L. A. Popelier: “Chemical Bonding and Molecular Geometry. From Lewis to Electron Densities”, Oxford University Press, New York, 2001. In: Angew. Chem. 115, 152 (2003) online (DOI); Angew. Chem. Int. Ed. Engl. 42, 143 (2003) online (DOI)

  6. David E. Fisher: “Much Ado About (Practically) Nothing. A History of the Noble Gases”, Oxford University Press, Oxford, 2010. In: Angew. Chem. 124, 38 (2012) online (DOI); Angew. Chem. Int. Ed. Engl. 51, 38 (2012) online (DOI)



Books edited


  1. “Theoretical Aspects of Transition Metal Catalysis.” in Topics in Organometallic Chemistry, Vol. 12, G. Frenking (Ed.), Springer-Verlag, Berlin 2005, ISBN-10: 3540235108 / ISBN-13: 978-3540235101 online (DOI)

  2. “Theory and Applications of Computational Chemistry: The First 40 Years.” C. E. Dykstra, G. Frenking, K. S. Kim, G. E. Scuseria (Eds), Elsevier, Amsterdam 2005, ISBN-10: 0444517197 / ISBN-13: 978-0444517197 online Google books

  3. “Eluvathingal D. Jemmis – Highlights in Theoretical Chemistry 1 (Hardback).” P. V. Bharatam, G. Frenking, G. N. Sastry (Eds), Springer-Verlag, Berlin 2012, ISBN-10: 3642317499 / ISBN-13: 978-3642317491 online

  4. “The Chemical Bond: Fundamental Aspects of Chemical Bonding.” G. Frenking and S. Shaik (Eds), Wiley, Weinheim 2014, ISBN-10: 3642317499 / ISBN-13: 978-3527333141 online (DOI)

  5. “The Chemical Bond: Chemical Bonding Across the Periodic Table.” G. Frenking and S. Shaik (Eds), Wiley, Weinheim 2014, ISBN-10: 3527333150 / ISBN-13: 978-3527333158 online (DOI)

Zuletzt aktualisiert: 27.10.2016 · Reuti

 
 
 
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