Main Content

  Scientific Publications 2020 — today

  1. “Bonding Analysis of the Shortest Bond between Two Atoms Heavier than Hydrogen and Helium: O22+.”
    M. Fu, S. Pan, L. Zhao, G. Frenking
    J. Phys. Chem. A 124, 1087 (2020) online (DOI)

  2. “Persistent Borafluorene Radicals.”
    W. Yang, K. E. Krantz, L. A. Freeman, D. A. Dickie, A. Molino, G. Frenking, S. Pan, D. J. D. Wilson, R. J. Gilliard Jr.
    Angew. Chem. 132, 3878 (2020) online (DOI)
    Angew. Chem. Int. Ed. 59, 3850 (2020) online (DOI)

  3. “Isolable cyclic radical cations of heavy main-group elements.”
    H. Cui, D. Xiao, L. Zhang, H.Ruan, Y. Fang, Y. Zhao, G. Tan, L. Zhao, G. Frenking, M. Driess, X. Wang
    Chem. Commun. 56, 2167 (2020) online (DOI)

  4. “Double donation in trigonal planar iron–carbodiphosphorane complexes – a concise study on their spectroscopic and electronic properties.”
    N.-J. H. Kneusels, J. E. Münzer, K. Flosdorf, D. Jiang, B. Neumüller, L. Zhao, A. Eichhöfer, G. Frenking, I. Kuzu
    Dalton Trans. 49, 2537 (2020) online (DOI)

  5. “Comment on ‘Revisiting π backbonding: the influence of d orbitals on metal–CO bonds and ligand red shifts’.”
    S. Pan, G. Frenking
    Phys. Chem. Chem. Phys. 22, 5377 (2020) online (DOI)

  6. “A Stable, Crystalline Beryllium Radical Cation.”
    G. Wang, J. E. Walley, D. A. Dickie, S. Pan, G. Frenking, R. J. Gilliard Jr.
    J. Am. Chem. Soc. 142, 4560 (2020) online (DOI)

  7. “Comment on ‘Realization of Lewis Basic Sodium Anion in the NaBH3- Cluster’.”
    S. Pan, G. Frenking
    Angew. Chem. 132, 8836 (2020) online (DOI)
    Angew. Chem. Int. Ed. 59, 8756 (2020) online (DOI)

  8. “Side-On Bonded Beryllium Dinitrogen Complexes.”
    G. Deng, S. Pan, G. Wang, L. Zhao, M. Zhou, G. Frenking
    Angew. Chem. 132, 10690 (2020) online (DOI)
    Angew. Chem. Int. Ed. 59, 10603 (2020) online (DOI)

  9. “A diradical based on odd-electron σ-bonds.”
    W. Yang, L. Zhang, D. Xiao, R. Feng, W. Wang, S. Pan, Y. Zhao, L. Zhao, G. Frenking, X. Wang
    Nature Commun. 11, 3441 (2020) online (DOI)

  10. “Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO)5, [Mn(CO)5]- and [Fe(CO)4CN]- ligands.”
    T. T. Ponduru, G. Wang, S. Manoj, S. Pan, L. Zhao, G. Frenking, H. V. R. Dias
    Dalton Trans. 49, 8566 (2020) online (DOI)

  11. “d–d Dative Bonding Between Iron and the Alkaline-Earth Metals Calcium, Strontium, and Barium.”
    P. Stegner, C. Färber, J. Oetzel, U. Siemeling, M. Wiesinger, J. Langer, S. Pan, N. Holzmann, G. Frenking, U. Albold, B. Sarkar, S. Harder
    Angew. Chem. 132, 14723 (2020) online (DOI)
    Angew. Chem. Int. Ed. 59, 14615 (2020) online (DOI)

  12. “Filling a Gap: The Coordinatively Saturated Group 4 Carbonyl Complexes TM(CO)8 (TM=Zr, Hf) and Ti(CO)7.”
    G. Deng, S. Lei, S. Pan, J. Jin, G. Wang, L. Zhao, M. Zhou, G. Frenking
    Chem. Eur. J. 26, 10487 (2020) online (DOI)

  13. “Comment on ‘Topological Analysis of the Electron Density in the Carbonyl Complexes M(CO)8 (M = Ca, Sr, Ba)’.”
    N. Holzmann, I. Fernandez, G. Frenking
    Organometallics 39, 2956 (2020) online (DOI)

  14. “Di-ortho-beryllated Carbodiphosphorane: A Compound with a Metal–Carbon Double Bond to an Element of the s-Block.”
    M. R. Buchner, S. Pan, C. Poggel, N. Spang, M. Müller, G. Frenking, J. Sundermeyer
    Organometallics 39, 3224 (2020) online (DOI)

  15. “Beryllium Atom Mediated Dinitrogen Activation via Coupling with Carbon Monoxide.”
    G. Deng, S. Pan, G. Wang, L. Zhao, M. Zhou, G. Frenking
    Angew. Chem. 132, 18358 (2020) online (DOI)
    Angew. Chem. Int. Ed. 59, 18201 (2020) online (DOI)

  16. “Alkaline Earth Metals Activate N2 and CO in Cubic Complexes Just Like Transition Metals: A Conceptual Density Functional Theory and Energy Decomposition Analysis Study.”
    T. Bettens, S. Pan, F. De Proft, G. Frenking, P. Geerlings, J. Sundermeyer
    Chem. Eur. J. 26, 12785 (2020) online (DOI)

  17. (Review) “Carbones and Carbon Atom as Ligands in Transition Metal Complexes.”
    L. Zhao, C. Chai, W. Petz, G. Frenking
    Molecules 25, 4943 (2020) online (DOI)

  18. “Quadruple bonding of bare group-13 atoms in transition metal complexes.”
    S. Pan, S. Manoj, G. Frenking
    Dalton Trans. 49, 14815 (2020) online (DOI)

  19. “The Valence Orbitals of the Alkaline-Earth Atoms.”
    I. Fernandez, N. Holzmann, G. Frenking
    Chem. Eur. J. 26, 14194 (2020) online (DOI)

  20. “Stabilization of Linear C3 by Two Donor Ligands: A Theoretical Study of L-C3-L (L=PPh3, NHCMe, cAACMe)”
    S. Manoj, S. Pan, K. C. Mondal, G. Frenking
    Chem. Eur. J. 26, 14211 (2020) online (DOI)

  21. “The bonding situation in heteromultimetallic carbonyl complexes.”
    A. O. Ortolan, G. F. Caramori, R. L. T. Parreira, A. Muñoz-Castro, G. Frenking
    Dalton Trans. 49, 16762 (2020) online (DOI)

  22. “Group 6 Hexacarbonyls as Ligands for the Silver Cation: Syntheses, Characterization, and Analysis of the Bonding Compared with the Isoelectronic Group 5 Hexacarbonylates.”
    J. Bohnenberger, D. Kratzert, S. Manoj, S. Pan, G. Frenking, I. Krossing
    Chem. Eur. J. 26, 17203 (2020) online (DOI)

  23. “Generation and Identification of the Linear OCBNO and OBNCO Molecules with 24 Valence Electrons.”
    G. Deng, S. Pan, J. Jin, G. Wang, L. Zhao, M. Zhou, G. Frenking
    Chem. Eur. J. 27, 412 (2021) online (DOI)

  24. “Isolable dicarbon stabilized by a single phosphine ligand.”
    T.-F. Leung, D. Jiang, M.-C. Wu, D. Xiao, W.-M. Ching, G. P. A. Yap, T. Yang, L. Zhao, T.-G. Ong, G. Frenking
    Nature Chem. 13, 89 (2021) online (DOI)

  25. “CO-Induced Dinitrogen Fixation and Cleavage Mediated by Boron.”
    G. Deng, S. Pan, X. Dong, G. Wang, L. Zhao, M. Zhou, G. Frenking
    Chem. Eur. J. 27, 2131 (2021) online (DOI)

  26. “Revisiting the Bonding Scenario of Two Donor Ligand Stabilized C2 Species.”
    S. Manoj, S. Pan, K. C. Mondal, G. Frenking
    J. Phys. Chem. A 125, 291 (2021) online (DOI)

  27. “Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones.”
    M. M. Siddiqui, S. K. Sarkar, M. Nazish, M. Morganti, C. Köhler, J. Cai, L. Zhao, R. Herbst-Irmer, D. Stalke, G. Frenking
    H. W. Roesky, J. Am. Chem. Soc. 143, 1301 (2021) online (DOI)

  28. “Generation and Characterization of the C3O2- Anion with an Unexpected Unsymmetrical Structure.”
    L. Wang, S. Pan, X. Dong, H. Li, G.Deng, X. Zeng, M. Zhou, G. Frenking
    Angew. Chem. 133, 4568 (2021) online (DOI)
    Angew. Chem. Int. Ed. 60, 4518 (2021) online (DOI)

  29. “Dinitrogen complexation and reduction at low-valent calcium.”
    B. Rösch, T. X. Gentner, J. Langer, C. Färber, J. Eyselein, L. Zhao, C. Ding, G. Frenking, S. Harder
    Science 371, 1125 (2021) online (DOI)

  30. “Carbodicarbene Bismaalkene Cations: Unravelling the Complexities of Carbene versus Carbone in Heavy Pnictogen Chemistry.”
    J. E. Walley, L. S. Warring, Dr. G. Wang, Dr. D. A. Dickie, Dr. S. Pan, Prof. Dr. G. Frenking, Prof. Dr. R. J. Gilliard Jr.
    Angew. Chem. 133, 6756 (2021) online (DOI)
    Angew. Chem. Int. Ed. 60, 6682 (2021) online (DOI)

  31. “Chemical Bonding in Homoleptic Carbonyl Cations [M{Fe(CO)5}2]+ (M=Cu, Ag, Au).”
    Dr. S. Pan, S. M. N. V. T. Gorantla, Dr. D. Parasar, Prof. Dr. H. V. R. Dias, Prof. Dr. G. Frenking
    Chem. Eur. J. 27, 6936 (2021) online (DOI)

  32. “Bonding in M(NHBMe)2 and M[Mn(CO)5]2 complexes (M=Zn, Cd, Hg; NHBMe=(HCNMe)2B): divalent group 12 metals with zero oxidation state.”
    S. Pan, L. Zhao, G. Frenking
    Theor. Chem. Acc. 140, 69 (2021) online (DOI)

  33. “Highly Coordinated Heteronuclear Calcium–Iron Carbonyl Cation Complexes [CaFe(CO)n]+ (n=5–12) with d–d Bonding.”
    X. Jin, Y. Bai, Y. Zhou, G. Wang, L. Zhao, M. Zhou, G. Frenking
    Angew. Chem. 133, 13984 (2021) online (DOI)
    Angew. Chem. Int. Ed. 60, 13865 (2021) online (DOI)

  34. “Metal–CO Bonding in Mononuclear Transition Metal Carbonyl Complexes.”
    G. Frenking, I. Fernández, N. Holzmann, S. Pan, I. Krossing, M. Zhou
    J. Am. Chem. Soc. Au 1, 623 (2021) online (DOI)

  35. “Isolation of a Uranium(III)-Carbon Multiple Bond Complex.”
    Dr. W. Su, Y. Ma, L. Xiang, J. Wang, Prof. Dr. S. Wang, Prof. Dr. L. Zhao, Prof. Dr. G. Frenking, Prof. Dr. Q. Ye
    Chem. Eur. J. 27, 10006 (2021) online (DOI)

  36. “A Critical Look at Linus Pauling’s Influence on the Understanding of Chemical Bonding.”
    S. Pan, G. Frenking
    Molecules 26, 4695 (2021) online (DOI)

  37. “Complex Featuring Two Double Dative Bonds Between Carbon(0) and Uranium.”
    W. Fang, S. Pan, W. Su, S. Wang, L. Zhao, G. Frenking, C, Zhu
    CCS Chem. 3, 2324 (2021) online (DOI)

  38. (Review) “Transition-Metal Chemistry of the Heavier Alkaline Earth Atoms Ca, Sr, and Ba.”
    M. Zhou, G. Frenking
    Acc. Chem. Res. 54, 3071 (2021) online (DOI)

  39. “Covalent Bonding Between Be+ and CO2 in BeOCO+ with a Surprisingly High Antisymmetric OCO Stretching Vibration.”
    X. Dong, C. Ding, Q. Zhang, M. Chen, L. Zhao, M. Zhou, G. Frenking
    J. Am. Chem. Soc. 143, 14300 (2021) online (DOI)

  40. “Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide.”
    C. McManus, J. Hicks, X. Cui, L. Zhao, G. Frenking, J. M. Goicoechea, S. Aldridge
    Chem. Sci. 12, 13458 (2021) online (DOI)

  41. “Complex Featuring Two Double Dative Bonds Between Carbon(0) and Uranium.”
    W. Fang, S. Pan, W. Su, S. Wang, L. Zhao, G. Frenking, C. Zhu
    CCS Chem. 4, 1921 (2022) online (DOI)

  42. “π Back-Donation from a Beryllium Dibromide Fragment at the Expense of Its σ Strength.”
    L. R. Thomas-Hargreaves, S. Pan, S. I. Ivlev, G. Frenking, M. R. Buchner
    Inorg. Chem. 61, 700 (2022) online (DOI)

  43. “The strength of a chemical bond.”
    L. Zhao, M. Zhi, G. Frenking
    Int. J. Quantum Chem. 122, e26773 (2022) online (DOI)

  44. “The Chemical Bond – an Entrance Door of Chemistry to the Neighboring Sciences and to Philosophy.”
    G. Frenking
    Isr. J. Chem. 62, e202100070 (2022) online (DOI)

  45. (Review) “Neutral and charged group 13–16 homologs of carbones EL2 (E = B−–In−; Si–Pb; N+–Bi+, O2+–Te2+).”
    W. Petz, G. Frenking
    Progr. Inorg. Chem. 79, 243 (2022) online (DOI)

  46. “Carbodiphosphorane-Stabilized Parent Dioxophosphorane: A Valuable Synthetic HO2P Source.”
    Z. Liu, A. I. McKay, L. Zhao, C. M. Forsyth, V. Jevtović, M. Petković, G. Frenking, D. Vidović
    J. Am. Chem. Soc. 144, 7357 (2022) online (DOI)

  47. “Isolation of Stable Borepin Radicals and Anions.”
    K. K. Hollister, W. Yang, R. Mondol, K. E. Wentz, A. Molino, A. Kaur, D. A. Dickie, G. Frenking, S. Pan, D. J. D. Wilson, R. J. Gilliard Jr.
    Angew. Chem. 134, e202202516 (2022) online (DOI)
    Angew. Chem. Int. Ed. 61, e202202516 (2022) online (DOI)

  48. “Generation and Characterization of the Charge-Transferred Diradical Complex CaCO2 with an Open-Shell Singlet Ground State.”
    Y. Zhou, S. Pan, X. Dong, L. Wang, M. Zhou, G. Frenking
    J. Am. Chem. Soc. 144, 8355 (2022) online (DOI)

  49. “How to capture C2O2: structures and bonding of neutral and charged complexes [(NHC)–C2O2–(NHC)]q (NHC = N-heterocyclic carbene; q = 0, 1+, 2+).”
    C. Ding, L. Yao, L. Zhao, G. Frenking
    Phys. Chem. Chem. Phys. 24, 16732 (2022) online (DOI)

  50. “The nature of the polar covalent bond.”
    L. Zhao, S. Pan, G. Frenking
    J. Chem. Phys. 157, 034105 (2022) online (DOI)

  51. “Clarifying notes on the bonding analysis adopted by the energy decomposition analysis.”
    F. M. Bickelhaupt, C. Fonseca Guerra, M. Mitoraj, F. Sagan, A. Michalak, S. Pan, G. Frenking
    Phys. Chem. Chem. Phys. 24, 15726 (2022) online (DOI)

  52. “Triple bonding between beryllium and nitrogen in HNBeCO.”
    L. Wang, S. Pan, G. Wang, X. Zeng, M. Zhou, G. Frenking
    Chem. Commun. 58, 8532 (2022) online (DOI)

  53. “Bonding analysis of the C2 precursor Me3E–C2–I(Ph)FBF3 (E = C, Si, Ge).”
    S. Manoj, S. Pan, K. C. Mondal, G. Frenking
    Pure Appl. Chem. 94, 767 (2022) online (DOI)

  54. “The Heaviest Bottleable Metallylone: Synthesis of a Monatomic, Zero-Valent Lead Complex (‘Plumbylone’).”
    J. Xu, S. Pan, S. Yao, G. Frenking, M. Driess
    Angew. Chem. 134, e202209442 (2022) online (DOI)
    Angew. Chem. Int. Ed. 61, e202209442 (2022) online (DOI)

  55. (Review) “Energy Decomposition Analysis of the Chemical Bond: Scope and Limitation.”
    L. Zhao, S. Pan, G. Frenking
    Comprehensive Computational Chemistry tbd, tbd (2022) online (DOI)

  56. “A Multidimensional Approach to Carbodiphosphorane–Bismuth Coordination Chemistry: Cationization, Redox-Flexibility, and Stabilization of a Crystalline Bismuth Hydridoborate.”
    A. D. Obi, D. A. Dickie, W. Tiznado, G. Frenking, S. Pan, R. J. Gilliard Jr
    Inorg. Chem. 61, 19452 (2022) online (DOI)

  57. “An isolable germylyne radical with a one-coordinate germanium atom.”
    D. Wang, C. Zhai, Y. Chen, Y. He, X.-D. Chen, S. Wang, L. Zhao, G. Frenking, X. Wang, G. Tan
    Nat. Chem. 15, 200 (2023) online (DOI)

  58. “Comment on ‚The oxidation state in low-valent beryllium and magnesium compounds‘ by M. Gimferrer, S. Danés, E. Vos, C. B. Yildiz, I. Corral, A. Jana, P. Salvador and D. M. Andrada, Chem. Sci. 2022, 13, 6583.”
    S. Pan, G. Frenking
    Chem. Sci. 14, 379 (2023) online (DOI)

  59. “Heretical thoughts about the present understanding and description of the chemical bond.”
    G. Frenking
    Molecular Physics TBD, e2110168 (2023) online (DOI)

  60. “[Ga@Bi10(NbMes)2]3−: a linear Nb–GaI–Nb filament coordinated by a bismuth cage.”
    L. Qiao, T. Yang, G. Frenking, Z.-M. Sun
    Chem. Commun. 59, 4024 (2023) online (DOI)

  61. “Carbon-free sandwich compounds based on arsenic and antimony with icosahedral metal cores.”
    X.-H. Yue, W.-X. Chen, T. Yang, A. Muñoz-Castro, G. Frenking, Z.-M. Sun
    Nat. Synth 2, 423 (2023) online (DOI)

  62. “Aromaticity: Quo Vadis.”
    G. Merino, M. Solà, I. Fernández, C. Foroutan-Nejad, P. Lazzeretti, G. Frenking, H. L. Anderson, D. Sundholm, F. P. Cossío, M. A. Petrukhina, J. Wu, J. I. Wu, A. Restrepo
    Chem. Sci. TBD, TBD (2023) online (DOI)

  63. “Quest of Quadruple Bonding Between Two Main-Group Atoms in AeB− and AeC (Ae = Ca, Sr, Ba) and the Role of d Orbitals of Heavier Alkaline-Earth Atoms in Covalent Interactions.”
    Y.-q. Liu, M.-h. Wang, B. Yan, L. Li, S. Pan, Z.-h. Cui, G. Frenking
    Chem. Eur. J. TBD, e202300446 (2023) online (DOI)

  64. “Lewis Acid-Mediated Radical Stabilization and Dynamic Covalent Bonding: Tunable, Reversible and Photocontrollable.”
    M. L., X. Yang, Q. Sun, T. Wang, R. Pei, X. Yang, Y. Zhao, L. Zhao, G. Frenking, X. Wang
    Angew. Chem. 134, e202300068 (2023) online (DOI)
    Angew. Chem. Int. Ed. 62, e202300068 (2023) online (DOI)

  65. “Genuine quadruple bonds between two main-group atoms. Chemical bonding in AeF− (Ae = Be–Ba) and isoelectronic EF (E = B–Tl) and the particular role of d orbitals in covalent interactions of heavier alkaline-earth atoms.”
    R. Liu, L. Qin, Z. Zhang, L. Zhao, F. Sagan, M. Mitoraj, G. Frenking
    Chem. Sci. 14, 4872 (2023) 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)
    In: 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)
    In: 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)