Dr. Tobias Krämer

Dr. Tobias Krämer               t.kraemer@hw.ac.uk

Tobias investigates the chemistry of late transition metal σ-alkane complexes, specifically [Rh(iBu2PCH2CH2PiBu2)(norbornane)]+. He is interested in the mechanistic details of the formation of this species as well as the factors that govern the interaction between the alkane fragment and the metal centre. This EPSRC-funded project is carried out in collaboration with Prof. Andrew S. Weller at the University of Oxford.

Tobias completed his PhD at the University of Oxford with Prof. John E. McGrady. His research focused on electronic structure calculations of open-shell transition metal systems related to the bonding in inorganic coordination compounds and clusters.

Subsequently, Tobias joined the group of Prof. Frank Neese as a postdoctoral researcher at the Max-Planck-Institute for Chemical Energy Conversion in Mülheim/Ruhr (Germany). Here he studied [NiFe] hydrogenases (enzymes that catalyse the reversible oxidation of molecular hydrogen), and related biomimetic Ni/Fe complexes by means of theoretical spectroscopy.

Publications

2016

  1. A Rhodium-Pentane Sigma-Alkane Complex: Characterization in the Solid State by Experimental and Computational Techniques,, F. M. Chadwick, N. H. Rees, A. S. Weller, T. Krämer, M. Iannuzzi, S. A. Macgregor, Angew. Chem. Int. Ed., 2016, Online DOI: 10.1002/anie.201511269

2015

  1. Hydride Bridge in [NiFe]-hydrogenase Observed by Nuclear Resonance Vibrational Spectroscopy, H. Ogata, T. Krämer, H. Wang, D. Schilter, V. Pelmenschikov, M. van Gastel, F. Neese, T. B. Rauchfuss, L. B. Gee, A. D. Scott, Y. Yoda, Y. Tanaka, W. Lubitz, S. P. Cramer, Nat. Commun., 2015, 6, 7890. DOI: 10.1038/ncomms8890

  1. How Formaldehyde Inhibits Hydrogen Evolution by [FeFe]-Hydrogenases: Determination by 13C ENDOR of Direct Fe–C Coordination and Order of Electron and Proton Transfers, A. Bachmeier, J. Esselborn, S. V. Hexter, T. Krämer, K. Klein, T. Happe, J. E. McGrady, W. K. Myers, F. A. Armstrong, J. Am. Chem. Soc., 2015, 137, 5381-5389. DOI: 10.1021/ja513074m

  1. Stochiometric and Catalytic Solid-Gas Reactivity of Rhodium Bis-Phosphine Complexes, S. D. Pike, T. Krämer, N. H. Rees, S. A Macgregor, A. S. Weller, Organometallics, 2015, 34, 1487-1497. DOI: 10.1021/om5013133

  1. Solid–State Synthesis and Characterization of σ–Alkane Complexes, [Rh(L2)(η22–C7H12)][BArF4] (L2 = Bidentate Chelating Phosphine), S. D. Pike, F. M. Chadwick, N. H. Rees, M. P. Scott, A. S. Weller, T. Krämer, S. A. Macgregor, J. Am. Chem. Soc., 2015, 137, 820-833. DOI: 10.1021/ja510437p

2014

  1. Pulsed EPR Spectroscopy of 33S-labeled Molybdenum Cofactor in Catalytically Active Bioengineered Sulfite Oxidase, E. L. Klein, A. A. Belaidi, A. M. Raitsimring, A. C. Davis, T. Krämer, A. V. Astashkin, F. Neese, G. Schwarz, J. H. Enemark, Inorg. Chem., 2014, 53, 961-971. DOI: 10.1021/ic4023954

2013

  1. Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-based Redox Processes in Cobalt Complexes, P. Ghosh, S. Samanta, S. K. Roy, S. Joy, T. Krämer, J. E. McGrady, S. Goswami, Inorg. Chem., 2013, 52, 14040-14049. DOI: 10.1021/ic4018079

  2. Structural and theoretical studies of intermolecular dihydrogen bonding in [(C6F5)2(C6Cl5)B]–H···H–[TMP], H. Zaher, A. E. Ashley, M. Irwin, A. L. Thompson, M. J. Gutmann, T. Krämer, D. O'Hare, Chem. Commun., 2013, 49, 9755-9757. DOI: 10.1039/C3CC45889J

  3. Structural trends in ten-vertex endohedral clusters, M@E10 and the synthesis of a new member of the family, [Fe@Sn10]3-, T. Krämer, J. C. A. Duckworth, M. D. Ingram, B. Zhou, J. E. McGrady, J. M. Goicoechea, Dalton Trans., 2013, 42, 12120-12129. DOI: 10.1039/C3dt50643f

  4. Theoretical Spectroscopy of the NiII Intermediate States in the Catalytic Cycle and the Activation of [NiFe] Hydrogenases, T. Krämer, M. Kampa, W. Lubitz, M. van Gastel, F. Neese, ChemBioChem, 2013, 14, 1898-1905. DOI: 10.1002/cbic.201300104

2012

  1. A Functional [NiFe]-Hydrogenase Model Compound That Undergoes Biologically Relevant Reversible Thiolate Protonation, K. Weber, T. Krämer, H. S. Shafaat, T. Weyhermüller, E. Bill, M. van Gastel, F. Neese, W. Lubitz, J. Am. Chem. Soc., 2012, 134, 20745-20755. DOI: 10.1021/Ja309563p

  2. A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends inStructure, Magnetism, and Bonding, M. Irwin, L. R. Doyle, T. Krämer, R. Herchel, J. E. McGrady, J. M. Goicoechea, Inorg. Chem., 2012, 51, 12301-12312. DOI: 10.1021/Ic301587f

  3. (Dimethylamino)borylene and Related Complexes of Electron-Rich Metal Fragments: Generation of Nucleophile-Resistant Cations bySpontaneous Halide Ejection, D. A. Addy, N. Phillips, G. A. Pierce, D. Vidovic, T. Krämer, D. Mallick, E. D. Jemmis, G. Reid, S. Aldridge,Organometallics, 2012, 31, 1092-1102. DOI: 10.1021/Om201144e

  4. Inhibition of [FeFe]-Hydrogenases by Formaldehyde and Wider Mechanistic Implications for Biohydrogen Activation, C. E. Foster, T. Krämer, A. F. Wait, A. Parkin, D. P. Jennings, T. Happe, J. E. McGrady, F. A. Armstrong, J. Am. Chem. Soc., 2012, 134, 7553-7557. DOI: 10.1021/Ja302096r

2011

  1. A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb12]3-, B. Zhou, T. Krämer, A. L. Thompson, J. E. McGrady, J. M. Goicoechea, Inorg. Chem., 2011, 50, 8028-8037. DOI: 10.1021/Ic200329m

  2. Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers:Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+, D. Vidovic, D. A. Addy, T. Krämer, J. E. McGrady, S. Aldridge, J. Am. Chem. Soc., 2011, 133, 8494-8497. DOI: 10.1021/Ja203051d

  3. Experimental charge density study into C-C σ-interactions in a Binor-S rhodium complex, H. A. Sparkes, T. Krämer, S. K. Brayshaw, J. C. Green, A. S. Weller, J. A. K. Howard, Dalton Trans., 2011, 40, 10708-10718.DOI: 10.1039/c1dt10303b

  4. Exchange coupling through diamagnetic [Fe(CO)4]2- bridging ligands in a xenophilic cluster, T. Krämer, Z. Lin, J. E. McGrady, Dalton Trans., 2011, 40, 927-932.DOI: 10.1039/c0dt01221a

  5. Isolation and Assessment of the Molecular and Electronic Structures of Azo-Anion-Radical Complexes of Chromium and Molybdenum.Experimental and Theoretical Characterization of Complete Electron-Transfer Series, S. Joy, T. Krämer, N. D. Paul, P. Banerjee, J. E. McGrady, S. Goswami, Inorg Chem., 2011, 50, 9993-10004.DOI: 10.1021/Ic200708c

  6. On the Structural and Electronic Properties of [Zn2(4,4'-bipyridine)(mes)4]n (n = 0-2),a Homologous Series of Bimetallic Complexes Bridged by Neutral, Anionic, and Dianionic 4,4'-Bipyridine, M. Irwin, T. Krämer, J. E. McGrady, J. M. Goicoechea, Inorg. Chem., 2011, 50, 5006-5014.DOI: 10.1021/Ic200241d

  7. Separating Electrophilicity and Lewis Acidity: The Synthesis, Characterization, and Electrochemistry of the Electron DeficientTris(aryl)boranes B(C6F5)3-n(C6Cl5)n (n = 1-3), A. E. Ashley, T. J. Herrington, G. G. Wildgoose, H. Zaher, A. L. Thompson, N. H. Rees, T. Krämer, D. O'Hare, J. Am. Chem. Soc., 2011, 133, 14727-14740.DOI: 10.1021/Ja205037t

2010

  1. Dioxygen activation by mixed-valent dirhodium complexes of redox non-innocent azoaromatic ligands, N. D. Paul, T. Krämer, J. E. McGrady, S. Goswami, Chem. Commun., 2010, 46, 7124-7126.DOI: 10.1039/C0cc01880e

  2. Experimental and Computational Study of the Structural and Electronic Properties of FeII(2,2'-bipyridine)(mes)2and [FeII(2,2'-bipyridine)(mes)2]-, a Complex Containing a 2,2'-Bipyridyl Radical Anion, M. Irwin, R. K. Jenkins, M. S. Denning, T. Krämer, F. Grandjean, G. J. Long, R. Herchel, J. E. McGrady, J. M. Goicoechea, Inorg. Chem., 2010, 49, 6160-6171.DOI: 10.1021/Ic100817s

2006

  1. Divergent Synthesis and Biological Evaluation of Carbocyclic α-, iso- and 3'-epi-Nucleosidesand their Lipophilic Nucleotide Prodrugs, O. R. Ludek, T. Krämer, J. Balzarini, C. Meier, Synthesis, 2006, 8, 1313-1324.DOI: 10.1055/s-2006-926411

  2. (H2O)10 and (H2O)12 on a Virtual Metal Surface: The Growth of Ice, H. Henschel, T. Krämer, T. Lankau, Langmuir, 2006, 22, 10942-10950.DOI: 10.1021/La0603471

2004

  1. Ferrocenyl-substituted fluorescent anthracenes and anthraquinones, I. R. Butler, A. G. Callabero, G. A. Kelly, J. R. Amey, T. Krämer, D. A. Thomas, M. E. Light, T. Gelbrich, S. J. Coles, Tetrahedron Lett., 2004, 45, 467-472.DOI: 10.1016/J.Tetlet.2003.11.013

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