Humboldt-Universität zu Berlin - Faculty of Mathematics and Natural Sciences - Ray Group

[2026] [2025] [2024] [2023] [2022] [2021] [2020] [2019] [2018] [2017] [2016] [2015] [2014] [2013] [2012] [2011] [2010] [2008] [2007] [2006] [2005] [2004] [2003]

1. "A mononuclear nonheme iron complex with higher affinity for O₂ than CO via hydrogen bonding"
   M. Jux, S. Mebs, M. Haumann, S. Katz, R. Garcia-Serres, P. Hildebrandt, Y. Wang, W. Nam, K. Ray, Nat. Commun. 2026.
   DOI: 10.1038/s41467-026-72599-y
   
2. "Mononuclear Non-Heme Iron(III)-Peroxo Complexes in Oxidative N-Demethylation Reaction as a Chemical Model Study of Rieske Oxygenases"
   A. Zhou, V. Kardam, A. Kumar, W. Zhu, Y.-M. Lee, K.-B. Cho, K. Ray, S. Fukuzumi, W. Nam, J. Am. Chem. Soc. 2026.
   DOI: 10.1021/jacs.5c18643
   
3. "Ambiphilic Reactivity and Switchable Methyl Transfer at a T-Shaped Bi(NNN) Complex Enabled by a Redox-Active Pincer Ligand"
   S. Pavlidis, E. W. Fischer, A. Opis-Basilio, A. Bera, A. G. Buzanich, M. Álvarez-Sánchez, S. Wittek, F. Emmerling, K. Ray, M. Roemelt, J. Abbenseth, J. Am. Chem. Soc. 2026.
   DOI: 10.1021/jacs.5c18955
   
4. "Identifying an Active Intermediate and Monitoring O-O Bond Formation in Water Oxidation by a Cobalt(III)-TAML Complex"
   D. D. Malik, Y.-M. Lee, S. Fukuzumi, K. Ray, W. Nam, Angew. Chem. Int. Ed. 2025, e202516165.
   DOI: 10.1002/anie.202516165
   
5. "Light-induced surface defects in anodic TiO₂ nanotubes as trapping centers for single Pt atoms, a co-catalyst for enhanced photocatalytic hydrogen evolution"
   D. E. Szaniawska-Biatas, T. Schultz, A. Opis-Basilio, D. Zasada, N. Koch, K. Ray, N. Pinna, E. Wierzbicka, J. Mat. Chem. A 2025.
   DOI: 10.1039/D5TA06032J
   
6. "M(III) Site-Driven Structural Engineering on Lead-Free Layered Double Perovskite Nanocrystals with Enhanced Photoelectrochemical Activity"
   Yukta, S. Rahman, Q. Shi, T. Al Said, S. K. Matta, T. Hu, W. Wang, A. Opis-Basilio, K. Ray, K. A. Dick, T. Pulleritis, M. Liu, Small Struc. 2025, 2500179.
   DOI: 10.1002/sstr.202500179
7. "Generation and Nitric Oxide Reactivity of a Cobalt(II) Superoxide Complex via Ligand-Based Redox Non-Innocence"
   D. J. Barman, T. Lohmiller, K. Krause, S. Katz, M. Haumann, P. Hildebrandt, K. Ray, JACS Au 2025.
   DOI: 10.1021/jacsau.5c00418
   
8. "Mechanistic Promiscuity in Cobalt Mediated CO₂ Reduction Reaction: One- versus Two-Electron Reduction Process"
   A. Bera, S. Bimmermann, P. Gerschel, D. J. Barman, L. Gerndt, T. Lohmiller, K. Abdiaziz, A. Schnegg, M. Orio, D. G. H. Hetterscheid, K. L. Bren, M. Roemelt, U.-P. Apfel, K. Ray, Angew. Chem. Int. Ed. 2025, e202503705.
   DOI: 10.1002/anie.202503705
   
9. "Tuning Reactivity in Cu/TEMPO Catalyzed Alcohol Oxidation Reactions"
   M. Schütze, M. Jux, B. Cula, M. Haumann, S. Katz, P. Hildebrandt, H. Dau, K. Ray, Chem. Asian J. 2025, e202500123.
   DOI: 10.1002/asia.202500123
10. "Debate of Nucleophilic versus Electrophilic Oxidative Aldehyde Deformylation by Mononuclear Nonheme Iron(III)-Peroxo and Iron(IV)-Oxo Complexes"
    W. Zhu, D. Sun, A. Zhou, S. Wang, Y. Zhang, H. P. H. Wong, A. Kumar, X. Lu, P. Wu, S. S. Nag, Y. Wang, K. Ray, S. P. de Visser, W. Nam, J. Am. Chem. Soc. 2025.
    DOI: 10.1021/jacs.4c16522
11. "Effects of Concurrent Sulphur- and Phosphorus Incorporation in Nickel Cyclam-based Complexes"
    T. Guseva, A. Bera, V. Ludwig, D. Siegmund, P. Gerschel, K. Ray, U.-P. Apfel, Eur. J. Inorg. Chem. 2025, e202500094.
    DOI: 10.1002/ejic.202500094
12. "An Oxoiron (IV) Complex Supported by an N-alkylated Cyclam Ligand System Containing a Pendant Alcohol Moiety"
    D. J. Barman, T. Lohmiller, S. Katz, M. Haumann, P. Hildebrandt, W. Nam, K. Ray, Chem. Eur. J. 2025, e202404468.
    DOI: 10.1002/chem.202404468
    
13. "Reinvestigation of the mechanism of dioxygen activation at a Mn^II(cyclam) center"
    T. Devi, S. Mebs, D. J. Barman, A. Opis-Basilio, M. Haumann, K. Ray, J. Inorg. Biochem. 2025, 264, 112809.
    DOI: 10.1016/j.jinorgbio.2024.112809
14. "π-Lewis Base Activation of Carbonyls and Hexafluorobenzene"
    A. Mondal, K. Breitweiser, S. Danés, A. Grünwald, F. W. Heinemann, B. Morgenstern, F. Müller, M. Haumann, M. Schütze, D. Kass, K. Ray, D. Munz, Angew. Chem. Int. Ed. 2024, 137, e202418738.
    DOI: 10.1002/ange.202418738
    
15. "Unveiling the Spectroscopic Signatures of Poly(3,4-ethylendioxythiophene) by Controlling Polaron and Bipolaron Concentrations"
    R. Rubio-Govea, A. Opis-Basilio, A. Torres, M. Sánchez, K. Ray, K. A. Mazzio, J. Phys. Chem. C 2024.
    DOI: 10.1021/acs.jpcc.4c05602
16. "A bis-Phenolate Carbene-Supported bis-µ-Oxo Iron(IV/IV) Complex with a [Fe^IV(µ-O)₂Fe^IV] Diamond Core Derived from Dioxygen Activation"
    L. Gravogl, D. Kass, O. Pyschny, F. W. Heinemann, M. Haumann, S. Katz, P. Hildebrandt, H. Dau, A. Swain, R. García-Serres K. Ray, D. Munz, K. Meyer, J. Am. Chem. Soc. 2024.
    DOI: 10.1021/jacs.4c07582
17. "Investigation of m- and p-xylene linked bimetallic Ni-cyclam-complexes as potential electrocatalysts for the CO₂ reduction"
    S. Bimmermann, D. Siegmund, K. Ray, U.-P. Apfel, Mat. Tod. Cat. 2024, 6, 100058.
    DOI: 10.1016/j.mtcatav.2024.100058
18. "A Bioinspired Nonheme Fe^III-(O₂^2-)-Cu^II Complex with an S_t = 1 Ground State"
    D. Kass, S. Katz, H. Özgen, S. Mebs, M. Haumann, R. García-Serres, H. Dau, P. Hildebrandt, T. Lohmiller, K. Ray, J. Am. Chem. Soc. 2024.
    DOI: 10.1021/jacs.4c04492
19. "An Iminophosphinite Pincer Iridium Complex: Synthesis and Catalytic Tool for Alkane Transfer Dehydrogenations"
    J. Cardozo, O. He, W. Ma, K. Ray, T. Braun, Z. anorg. allg. Chem. 2024, e202400028.
    DOI: 10.1002/zaac.202400028
20. "Origin of Unprecedented Formation and Reactivity of Fe^IV=O Species viaOxygen Activation: Role of Noncovalent Interactions and Magnetic Coupling"
    A. Sen, N. J. Britto, D. Kass, K. Ray, G. Rajaraman, Inorg. Chem. 2024.
    DOI: 10.1021/acs.inorgchem.4c00371
21. "Identification, Characterization, and Electronic Structures of Interconvertible Cobalt-Oxygen TAML intermediates"
    D. D. Malik, W. Ryu, Y. Kim, G. Singh, J.-H. Kim, M. Sankaralingam, Y.-M. Lee, M. S. Seo, M. Sundararajan, D. Ocampo, M. Roemelt, K. Park, S. H. Kim, M.-H. Baik, J. Shearer, K. Ray, S. Fukuzumi, W. Nam, J. Am. Chem. Soc. 2024, 146, 13817-13835.
    DOI: 10.1021/jacs.3c14346
22. "Long-Term Stability of Light-Induced Ti³⁺ Defects in TiO₂ Nanotubes for Amplified Photoelectrochemical Water Splitting"
    E. Wierzbicka, E. Szaniawska-Bialas, T. Schultz, A. O. Basilio, D. Siemiaszko, K. Ray, N. Koch, N. Pinna, M. Polanski, ChemSusChem 2024, e202301614.
    DOI: 10.1002/cssc.202301614
23. "Trapping of a phenoxyl radical at a non-haem high-spin iron(II) centre"
    D. Kass, V. Larson, T. Corona, U. Kuhlmann, P. Hildebrandt, T. Lohmiller, E. Bill, N. Lehnert, K. Ray, Nat. Chem. 2024.
    DOI: 10.1038/s41557-023-01405-9
24. "A high-spin alkylperoxo-iron(III) complex with cis-anionic ligands: implications for the superoxide reductase mechanism"
    T. Devi, K. Dutta, J. Deutscher, S. Mebs, U. Kuhlmann, M. Haumann, B. Cula, H. Dau, P. Hildebrandt, K. Ray, Chem. Sci. 2024, 15, 528-533.
    DOI: 10.1039/D3SC05603
25. "How Ligand Geometry Affects the Reactivity ofCo(II) Cyclam Complexes"
    L. Iffland-Mühlhaus, B. Battistella, D. Siegmund, K. Ray, U.-P. Apfel, Eur. J. Inorg. Chem. 2023, 26, e202300418.
    DOI: 10.1002/ejic.202300418
26. "Reactivities of iron(IV)-oxido compounds with pentadentate bispidine ligands"
    K. Bleher, P. Comba, D. Kass, K. Ray, H. Wadepohl, J. Inorg. Biochem. 2023, 241, 112123.
    DOI: 10.1016/j.jinorgbio.2023.112123
27. "A New Thiolate-Bound Dimanganese Cluster as a Structural and Functional Model for Class Ib RNRs"
    B. Battistella, T. Lohmiller, B. Cula, P. Hildebrandt, U. Kuhlmann, H. Dau, S. Mebs, K. Ray, Angew. Chem. Int. Ed. 2023, 62, 202217076.
    DOI: 10.1002/anie.202217076
28. "Spectroscopic Properties of a Biologically Relevant [Fe₂(µ-O)₂] Diamond Core Motif with a Short Iron-Iron Distance"
    D. Kass, S. Yao, K. Krause, T. Corona, L. Richter, T. Braun, S. Mebs, M. Haumann, H. Dau, T. Lohmiller, C. Limberg, M. Drieß, K. Ray, Angew. Chem. Int. Ed. 2023, 62, e202209437.
    DOI: 10.1002/anie.202209437
29. "Evidence of Sulfur Non-Innocence in [Co^II(dithiacyclam)]²⁺-Mediated Catalytic Oxygen Reduction Reactions"
    B. Battistella, L. Iffland-Mühlhaus, M. Schütze, B. Cula, U. Kuhlmann, H. Dau, P. Hildebrandt, T. Lohmiller, S. Mebs, U.-P. Apfel, K. Ray, Angew. Chem. Int. Ed. 2022, e202214074.
    DOI: 10.1002/anie.202214074
30. "Modelling the coordination environment in α-ketoglutarate dependent oxygenases - a comparative study on the effect of N- vs. O-ligation"
    K. Warm, D. Kass, M. Haumann, H. Dau, K. Ray, Z. Anorg. Allg. Chem. 2022, 648, e202100310.
    DOI: 10.1002/zaac.202100310
31. "The influence of secondary interactions on the [Ni(O₂)]⁺ mediated aldehyde oxidation reactions"
    B. Battistella, K. Warm, B. Cula, B. Lu, P. Hildebrandt, U. Kuhlmann, H. Dau, S. Mebs, K. Ray, J. Inorg. Biochem. 2022, 227, 111668.
    DOI: 10.1016/j.jinorgbio.2021.111668
    
32. "Formation of cobalt-oxygen intermediates by dioxygen activation at a mononuclear nonheme cobalt(II) center"
    D. D. Malik, A. Chandra, M. S. Seo, Y.-M. Lee, E. R. Farquhar, S. Mebs, H. Dau, K. Ray, W. Nam, Dalton Trans. 2021, 50, 11889-11898.
    DOI: 10.1039/D1DT01996A
33. "Spectroscopic Characterization of a reactive [Cu₂(µ-OH)₂] intermediate in Cu/TEMPO catalyzed aerobic alcohol oxidation reaction"
    K. Warm, G. Tripodi, E. Andris, S. Mebs, U. Kuhlmann, H. Dau, P. Hildebrandt, J. Roithová, K. Ray, Angew. Chem. Int. Ed. 2021, 60, 23018-23024.
    DOI: 10.1002/anie.202108442
34. "Stable, but still reactive - investigations on the effects of Lewis acid binding on copper nitrene intermediates"
    K. Warm, I. Monte-Pérez, U. Kuhlmann, P. Hildebrandt, E. Farquhar, M. Swart, K. Ray, Z. Anorg. Allg. Chem. 2021, 647, 1495-1502.
    DOI: 10.1002/zaac.202100092
35. "Ligand Constraint Induced Peroxide Activation for Electrophilic Reactivity"
    A. Chandra, M. Ansari, I. Monte-Pérez, S. Kundu, G. Rajaraman, K. Ray, Angew. Chem. Int. Ed. 2021, 60, 14954-14959.
    DOI: 10.1002/anie.202100438
36. "Transition metal-mediated O-O bond formation and activation in chemistry and biology"
    X.-P. Zhang, A. Chandra, Y.-M. Lee, R. Cao, K. Ray, W. Nam, Chem. Soc. Rev. 2021, 50, 4804-4811.
    DOI: 10.1039/D0CS01456G
37. "A Bioinspired Oxoiron(IV) Motif Supported on a N₂S₂ Macrocyclic Ligand"
    J. Deutscher, P. Gerschel, K. Warm, U. Kuhlmann, S. Mebs, M. Haumann, H. Dau, P. Hildebrandt, U.-P. Apfel, K. Ray, Chem. Comm. 2021, 57, 2947-2950.
    DOI: 10.1039/D1CC00250C
38. "A Pseudotetrahedral Terminal Oxoiron(IV) Complex: Mechanistic Promiscuity in C-H bond Oxidation Reactions"
    K. Warm, A. Paskin, U. Kuhlmann, E. Bill, M. Swart, M. Haumann, H. Dau, P. Hildebrandt, K. Ray, Angew. Chem. Int. Ed. 2021, 60, 6752-6756.
    DOI: 10.1002/anie.202015896
39. "Synthesis, Characterization, and Reactivity of a Series of Homo- and Hetero-dinuclear Complexes based on an Asymmetric FloH Ligand System"
    B. Battistella, F. Heims, B. Cula, K. Ray, Z. Anorg. Allg. Chem. 2020, 646, 1010-1019.
    DOI: 10.1002/zaac.202000221
40. "Redox Potentials of High-Valent Iron-, Cobalt-, and Nickel-Oxido Complexes: Evidence for Exchange Enhanced Reactivity"
    P. Comba, A.-M. Löhr, F. Pfaff, K. Ray, Israel J. Chem. 2020, 60, 957-962.
    DOI: 10.1002/ijch.202000038
41. "Iron and manganese oxo complexes, the oxo wall and beyond"
    V. A. Larson, B. Battistella, K. Ray, N. Lehnert, W. Nam, Nature Rev. Chem. 2020, 4, 404-419.
    DOI: 10.1038/s41570-020-0197-9
42. "Electrochemical CO₂ Reduction - The Effect of Chalcogenide Exchange in Ni-Isocyclam Complexes"
    P. Gerschel, B. Battistella, D. Siegmund, K. Ray, U. P. Apfel, Organometall. 2020, 39, 1497-1510.
    DOI: 10.1021/acs.organomet.0c00129
43. "Catalytic dioxygen reduction mediated by a tetranuclear cobalt complex supported on a stannoxane core"
    A. Chandra, S. Mebs, S. Kundu, U. Kuhlmann, P. Hildebrandt, H. Dau, K. Ray, Dalton Trans. 2020, 49, 6065-6073.
    DOI: 10.1039/d0dt00475h
44. "O₂ and H₂O₂ activations at dinuclear Mn and Fe active sites"
    B. Battistella, K. Ray, Coord. Chem. Rev. 2020, 408, 213176.
    DOI: 10.1016/j.ccr.2019.213176
45. "Stoichiometric Formation of an Oxoiron(IV) Complex by a Soluble Methane Monooxygenase Type Activation of O₂ at an Iron(II)-Cyclam Center"
    D. Kass, T. Corona, K. Warm, B. Braun-Cula, U. Kuhlmann, E. Bill, S. Mebs, M. Swart, H. Dau, M. Haumann, P. Hildebrandt, K. Ray, J. Am. Chem. Soc. 2020, 142, 5924-5928.
    DOI: 10.1021/jacs.9b13756
46. "Trapping of a Highly Reactive Oxoiron(IV) Complex in the Catalytic Epoxidation of Olefins by Hydrogen Peroxide"
    X. Engelmann, D. D. Malik, T. Corona, K. Warm, E. R. Farquhar, M. Swart, W. Nam, K. Ray, Angew. Chem. Int. Ed. 2019, 131, 4052-4056.
    DOI: 10.1002/anie.201812758
47. "Sulfur substitution in a Ni(cyclam) derivative results in lower overpotential for CO₂ reduction and enhanced proton reduction"
    P. Gerschel, K. Warm, E. R. Farquhar, U. Englert, M. L. Reback, D. Siegmund, K. Ray, U.-P. Apfel, Dalton Trans. 2019, 48, 5923-5932.
    DOI: 10.1039/c8dt04740e
48. "Heme and Nonheme High-Valent Iron and Manganese Oxo Cores in Biological and Abiological Oxidation Reactions"
    M. Guo, T. Corona, K. Ray, W. Nam, ACS Cent. Scie. 2019, 5, 13-28.
    DOI: 10.1021/acscentsci.8b00698
49. "Water Oxidation Reaction Mediated by an Octanuclear Iron-Oxo Cluster"
    J. Deutscher, T. Corona, K. Warm, X. Engelmann, S. Sobottka, B. Braun-Cula, B. Sarkar, K. Ray, Eur. J. Inorg. Chem. 2018, 45, 4925–4929.
    DOI: 10.1002/ejic.201800269
50. "Structure, bonding, reactivity and spectral features of putative Ni^III=O species: a theoretical perspective"
    B. Pandey, K. Ray, G. Rajaraman, Z. Anorg. Allg. Chem. 2018, 644, 790-800.
    DOI: 10.1002/zaac.201800122
51. "Observation of Carbodicarbene Ligand Redox Noninnocence in Highly Oxidized Iron Complexes"
    S. C. Chan, P. Gupta, X. Engelmann, Z. Z. Ang, R. Ganguly, E. Bill, K. Ray, S. Ye, J. England, Angew. Chem. Int. Ed. 2018, 57, 1-7.
    DOI: 10.1002/anie.201809158
52. "Four-electron reduction of dioxygen to water by a trinuclear copper complex"
    X. Engelmann, E. R. Farquhar, J. England, K. Ray, Inorg. Chem. Acta 2018, 481, 159-165.
    DOI: 10.1016/j.ica.2017.11.014
53. "Nucleophilic vs. Electrophilic Reactivity of Bioinspired Superoxido Nickel(II) Complexes"
    C. Panda, A. Chandra, T. Corona, E. Andris, B. Pandey, S. Garai, N. Lindenmaier, S. Kuenstner, E. R. Farquhar, J. Roithova, G. Rajaraman, M. Driess, K. Ray, Angew. Chem. Int. Ed. 2018, 57, 14883-14887.
    DOI: 10.1002/anie.201808085
54. "C-H activation and nucleophilic substitution in a photochemically generated high valent iron complex"
    J. Hui Lim, X. Engelmann, S. Corby, R. Ganguly, K. Ray, H. S. Soo, Chem. Sci. 2018, 9, 3992-4002.
    DOI: 10.1039/C7SC05378A
55. "A Highly Reactive Oxoiron(IV) Complex Supported by a Bioinspired N3O Macrocyclic Ligand"
    I. Monte-Pérez, X. Engelmann, Y.-M. Lee, M. Yoo, K. Elumalai, E. R. Farquhar, E. Bill, J. England, W. Nam, M. Swart, K. Ray, Angew. Chem. Int. Ed. 2017, 56, 14384-14388.
    DOI: 10.1002/anie.201707872
56. "Temperature Dependence of the Catalytic Two- versus Four Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex"
    I. Monte-Pérez, S. Kundu, A. Chandra, K. E. Craigo, P. Chernev, U. Kuhlmann, H. Dau, P. Hildebrandt, C. Greco, C. Van Stappen, N. Lehnert, K. Ray, J. Am. Chem. Soc. 2017, 139, 15033-15042.
    DOI: 10.1021/jacs.7b07127
57. "A High-Valent Non-Heme μ-Oxo Manganese(IV) Dimer Generated from a Thiolate-Bound Manganese(II) Complex and Dioxygen"
    D. Brazzolotto, F. G. Cantú Reinhard, J. Smith-Jones, M. Retegan, L. Amidani, A. S. Faponle, K. Ray, C. Philouze, S. P. de Visser, M. Gennari, C. Duboc, Angew. Chem. Int. Ed. 2017, 56, 8211-8215.
    DOI: 10.1002/ange.201703215
58. "Synthesis and reactivity of a mononuclear non-haem cobalt(IV)-oxo complex"
    B. Wang, Y.-M. Lee, W.-Y. Tcho, S. Tussupbayev, S.-T. Kim, Y. Kim, M. S. Seo, K.-B. Cho, Y. Dede, B. C. Keegan, T. Ogura, S. H. Kim, T. Ohta, M.-H. Baik, K. Ray, J. Shearer, W. Nam, Nat. Commun. 2017, 8, 14839.
    DOI: 10.1038/ncomms14839
59. "A New Domain of Reactivity for High-Valent Dinuclear [M(µ-O₂M'] Complexes in Oxidation Reactions"
    X. Engelmann, S. Yao, E. R. Farquhar, T. Szilvási, U. Kuhlmann, P. Hildebrandt, M. Driess, K. Ray, Angew. Chem. 2017, 56, 303-307.
    DOI: 10.1002/anie.201607611
60. "Characterization and reactivity studies of a terminal copper-nitrene species"
    T. Corona, L. Ribas, M. Rovira, E. R. Farquhar, X. Ribas, K. Ray, A. Company, Angew. Chem. Int. Ed. 2016, 55, 14005-14008.
    DOI: 10.1002/anie.201607238
61. "A cobalt(II) iminoiodane complex and its scandium adduct: mechanistic promiscuity in hydrogen atom abstraction reactions"
    S. Kundu, P. Chernev, X. Engelmann, C. S. Chung, H. Dau, E. Bill, J. England, W. Nam, K. Ray, Dalton Trans. 2016, 45, 14538-14543.
    DOI: 10.1039/C6DT01815G
62. "Changing the chemical and physical properties of high valent heterobimetallic bis-(μ-oxido) Cu-Ni complexes by ligand effects"
    M.-C. Kafentzi, M. Orio, M. Reglier, S. Yao, U. Kuhlmann, P. Hildebrandt, M. Driess, A. J. Simaan, K. Ray, Dalton Trans. 2016, 45, 15994-16000.
    DOI: 10.1039/C6DT02391F
63. "Dioxygen activation chemistry by synthetic mononuclear nonheme iron, copper and chromium complexes"
    S. Hong, Y.-M. Lee, K. Ray, W. Nam, Coord. Chem. Rev. 2016, 334, 25-42.
    DOI: 10.1016/j.ccr.2016.07.006
64. "An iron(II) hydride complex of a ligand with two adjacent β-diketiminate binding sites and its reactivity"
    H. Gehring, R. Metzinger, B. Braun, C. Herwig, S. Harder, K. Ray, C. Limberg, Dalton Trans. 2016, 45, 2989-2996.
    DOI: 10.1039/C5DT04266F
65. "Oxidation Reactions with Bioinspired Mononuclear Non-Heme Metal-Oxo Complexes"X. Engelmann, I. Monte-Pérez, K. Ray, Angew. Chem. Int. Ed. 2016, 55, 7632-7649.
    DOI: 10.1002/anie.201600507
66. "High-Valent Metal-Oxo Intermediates in Energy Demanding Processes: From Dioxygen Reduction to Water Splitting"
    F. Heims, K. Ray, M. Schwalbe, W. Nam, Curr. Opin. Chem. Biol. 2015, 25, 159-171.
    DOI: 10.1016/j.cbpa.2015.01.014
67. "An Open-Shell Spin Singlet Copper-Nitrene Intermediate Binding Redox-innocent Metal Ions: Influence of the Lewis Acidity of the Metal Ions on Spectroscopic and Reactivity Properties"
    I. M.-Pérez, S. Kundu, K. Ray, Z. Anorg. Allg. Chem. 2015, 641, 78–82.
    DOI: 10.1002/zaac.201400389
68. "Characterization of Porphyrin-Co(III)-‘Nitrene radical’ species relevant in catalytic nitrene transfer reactions"
    M. Goswami, V. Lyaskovskyy, S. R. Domingos, W. J. Buma, S. Woutersen, O. Troeppner, I. I-Burmazović, H. Lu, X. Cui, P. Zhang, E. J. Reijerse, S. DeBeer, M. M. van Schooneveld, F. Pfaff, K. Ray, B. de Bruin, J. Am. Chem. Soc. 2015, 137, 5468–5479.
    DOI: 10.1021/jacs.5b01197
69. "Reactivity of a Nickel(II) Bis(amidate) Complex with meta-Chloroperbenzoic Acid: Formation of a Potent Oxidizing Species"
    T. Corona, F. F. Pfaff, F. Acuña-Parés, A. Draksharapu, C. J. Whiteoak, V. Martin-Diaconescu, J. L-Fillol, W. R. Browne, K. Ray, A. Company, Chem. Eur. J. 2015, 21, 15029-15038.
    DOI: 10.1002/chem.201501841
70. "[Ni(cod)₂][Al(OR^F)₄], a Source for Naked Nickel(I) Chemistry"
    M. Schwab, D. Himmel, S. Kacprzak, D. Kratzert, V. Radtke, M. Wernet, P. Weis, K. Ray, E. W. Scheidt, W. Scherer, B. de Bruin, T. Augenstein, F. Breher, S. Weber, I. Krossing, Angew. Chem. Int. Ed. 2015, 54, 14706-14709.
    DOI: 10.1002/anie.201506475
71. 
    S. Hong, F. F. Pfaff, E. Kwon, Y. Wang, M.-S. Seo, E. Bill, K. Ray, W. Nam, Angew. Chem. Int. Ed. 2014, 53, 10403-1407.
    DOI: 10.1002/ange.201701623
72. "Evidence of Two-State Reactivity in Alkane Hydroxylation by Lewis-acid Bound Copper-Nitrene Complexes"
    S.-L. Abram, I. Monte-Pérez, F. F. Pfaff, E. Farquhar, K. Ray, Chem. Commun. 2014, 50, 9852-9854.
    DOI: 10.1039/C4CC03754E
73. "Status of Reactive Non-Heme Metal-Oxygen Intermediates in Chemical and Enzymatic Reactions"
    K. Ray, F. F. Pfaff, B. Wang, W. Nam, J. Am. Chem. Soc. 2014, 136, 13942-13958.
    DOI: 10.1021/ja507807v
74. "Redox Non-Innocence of a N-Heterocyclic Nitrenium Cation Bound to a Nickel–Cyclam Core"
    F. Heims, F. F. Pfaff, S.-L. Abram, E. R. Farquhar, M. Bruschi, C. Greco, K. Ray, J. Am. Chem. Soc. 2014, 136, 582-585.
    DOI: 10.1021/ja4099559
75. "Mechanism of phenol oxidation by heterodinuclear Ni Cu bis(µ-oxo) complexes involving nucleophilic oxo groups"
    S. Kundu, E. Miceli, E. R. Farquharb, K. Ray, Dalton Trans. 2014, 43, 4264-4267.
    DOI: 10.1039/C3DT52644E
76. "Access to a Cu^II–O–Cu^II Motif: Spectroscopic Properties, Solution Structure, and Reactivity"
    P. Haack, A. Kärgel, C. Greco, J. Dokic, B. Braun, F. F. Pfaff, S. Mebs, K. Ray, C. Limberg, J. Am. Chem. Soc. 2013, 135, 16148-16160.
    DOI: 10.1021/ja406721a
77. "A High-Valent Heterobimetallic [Cu^III(μ-O)₂Ni^III]²⁺ Core with Nucleophilic Oxo Groups"
    S. Kundu, F. F. Pfaff, E. Miceli, I. Zaharieva, C. Herwig, S. Yao, E. R. Farquhar, U. Kuhlmann, E. Bill, P. Hildebrandt, M. Driess, C. Limberg, K. Ray, Angew. Chem. Int. Ed. 2013, 52, 5622-5626.
    DOI: 10.1002/anie.201300861
78. "Terminal oxo and imido transition metal complexes of Groups 9-11"
    K. Ray, F. Heims, F. F. Pfaff, Eur. J. Inorg. Chem. 2013, 2013, 3784-3807.
    DOI: 10.1002/ejic.201300223
79. "Nonheme oxoiron(IV) complexes of pentadentate N5 ligands: spectroscopy, electrochemistry, and oxidative reactivity"
    D. Wang, K. Ray, M. J. Collins, E. R. Farquhar, J. R. Frisch, L. Gomez, T. A. Jackson, M. Kerscher, A. Waleska, P. Comba, M. Costas, L. Que Jr., Chem. Sci. 2013, 4, 282-291.
    DOI: 10.1039/C2SC21318D
80. "Lewis-acid Trapping of an Elusive Copper-Tosylnitrene Intermediate Using Scandium Triflate"
    S. Kundu, E. Miceli, E. Farquhar, F. F. Pfaff, U. Kuhlmann, P. Hildebrandt, B. Braun, C. Greco, K. Ray, J. Am. Chem. Soc. 2012, 134, 14710-14713.
    DOI: 10.1021/ja306674h
81. "Metal-oxo-mediated O-O bond formation reactions in chemistry and biology"
    S. Kundu, M. Schwalbe, K. Ray, BioInorg. React. Mech. 2012, 8, 41-57.
    DOI: 10.1515/irm-2012-0004
82. "Synthesis and Spectroscopic Characterisation of a Heterodinuclear Iron(III)-Copper(II) Complex Based on an Asymmetric Dinucleating Ligand System"
    F. Heims, V. Mereacre, A. Ciancetta, S. Mebs, A. K. Powell, C. Greco, K. Ray, Eur. J. Inorg. Chem. 2012, 29, 4565-4569.
    DOI: 10.1002/ejic.201200156
83. "The biology and chemistry of high-valent iron–oxo and iron–nitrido complexes"
    J. Hohenberger, K. Ray, K. Meyer, Nature Commun. 2012, 3, 720.
    DOI: 10.1038/ncomms1718
84. "Spectroscopic capture and reactivity of S = 1/2 nickel(III)–oxygen intermediates in the reaction of a Ni^II-salt with mCPBA"
    
    F. F. Pfaff , F. Heims , S. Kundu , S. Mebs, K. Ray, Chem. Commun. 2012, 48, 3730-3732.
    DOI: 10.1039/C2CC30716B
85. "O-O Bond Formation Mediated by a Hexanuclear Iron Complex Supported on a Stannoxane Core"
    S. Kundu, E. Matito, S. Walleck, F. F. Pfaff, F. Heims, B. Rábay, J. M. Luis, A. Company, B. Braun, T. Glaser, K. Ray, Chem. Eur. J. 2012, 10, 2787-2791.
    DOI: 10.1002/chem.201102326
86. "An Oxocobalt(IV) Complex Stabilized by Lewis Acid Interactions with Scandium(III) Ions"
    F. F. Pfaff, S. Kundu, M. Risch, S. Pandian, F. Heims, I. Pryjomska-Ray, P. Haack, R. Metzinger, E. Bill, H. Dau, P. Comba, K. Ray, Angew. Chem. Int. Ed. 2011, 7, 1711-1715.
    DOI: 10.1002/anie.201005869
87. "Dinuclear Copper Complexes Based on Parallel ß-Diiminato Binding Sites and their Reactions with O₂: Evidence for a Cu-O-Cu Entity"
    P. Haack, C. Limberg, K. Ray, B. Braun, U. Kuhlmann, P. Hildebrandt, C. Herwig, Inorg. Chem. 2011, 6, 2133-2142.
    DOI: 10.1021/ic101249k
88. "Dioxygenase-Like Reactivity of an Isolable Superoxo-Nickel(II) Complex"
    
    A. Company, S. Yao, K. Ray, M. Driess, Chem. Eur. J. 2010, 16, 9669-9675.
    DOI: 10.1002/chem.201001138
89. "Determination by High-Frequency and -Field EPR of Zero-Field Splitting in Iron(IV) Oxo Complexes: Implications for Intermediates in Nonheme Iron Enzymes"
    J. Krzystek, J. England, K. Ray, A. Ozarowski, D. Smirnov, L. Que Jr., J. Telser, Inorg. Chem. 2008, 47, 3483-3485.
    DOI: 10.1021/ic800411c
90. "An Inverted and More Oxidizing Isomer of [Fe^IV(O)(TMC)(NCCH₃)]²⁺"
    K. Ray, J. England, M. Martinho, E. Munck, L. Que Jr., Angew. Chem. 2008, 120, 8188-8191.
    DOI: 10.1002/ange.200802219
91. "Iron-Oxidation-State Dependent O-O bond cleavage in meta-chloroperbenzoic acid to form an oxoiron(IV) complex"
    K. Ray, S. M. Lee, L. Que Jr., Inorg. Chim. Acta 2008, 361, 1066-1069.
    DOI: 10.1016/j.ica.2007.07.039
92. "Description of the Ground-State Covalencies of the Bis(dithiolato) Transition-Metal Complexes from X-ray Absorption Spectroscopy and Time-Dependent Density-Functional Calculations"
    K. Ray, S. D. George, E. I. Solomon, K. Wieghardt, F. Neese, Chem. Eur. J. 2007, 13, 2783-2797.
    DOI: 10.1002/chem.200601425
93. "Molecular and Electronic Structure of Square-Planar Gold Complexes Containing Two 1,2-Di(4-tert-butylphenyl)ethylene-1,2-dithiolato Ligands: [Au(²L)₂]^1+/0/1-/2-. A Combined Experimental and Computational Study"
    S. Kokatam, K. Ray, J. Pap, E. Bill, W. E. Geiger, R. J. LeSuer, P. H. Rieger, T. Weyhermüller, F. Neese, K. Wieghardt, Inorg. Chem. 2007, 46, 1100-1111.
    DOI: 10.1021/ic061181u
94. "Axial Ligand Tuning of a Nonheme Iron(IV)-Oxo Unit for Hydrogen Atom Abstraction"
    C. V. Sastri, J. Lee, K. Oh, Y. J. Lee, J. Lee, T. A. Jackson, K. Ray, H. Hirao, W. Shin, J. A. Halfen, L. Que Jr., S. Shaik, W. Nam, Proc. Natl. Acad. Sc. 2007, 104, 19181-19186.
    DOI: 10.1073/pnas.0709471104
95. "Joint Spectroscopic and Theoretical Investigations of Transition Metal Complexes Involving Non-innocent ligands"
    K. Ray, T. Petrenko, K. Wieghardt, F. Neese, Dalton Trans. 2007, 16, 1552-1566.
    DOI: 10.1039/B700096K
96. "Electrochemical Generation of a Nonheme Oxoiron(IV) Complex"
    M. J. Collins, K. Ray, L. Que Jr., Inorg. Chem. 2006, 45, 8009-8011.
    DOI: 10.1021/ic061263i
97. "Vibrational Markers for the Open-Shell Character of Transition Metal Bis-dithiolenes: An Infrared, Resonance Raman, and Quantum Chemical Study"
    T. Petrenko, K. Ray, K. Wieghardt, F. Neese, J. Am. Chem. Soc. 2006, 128, 4422-4436.
    DOI: 10.1021/ja0578451
98. "Molecular and Electronic Structures of Oxo-bis(benzene-1,2-dithiolato)chromate(V) Monoanions. A Combined Experimental and Density Functional Study"
    R. Kapre, K. Ray, I. Sylvestre, T. Weyhermüller, S. D. George, F. Neese, K. Wieghardt, Inorg. Chem. 2006, 45, 3499-3509.
    DOI: 10.1021/ic051844s
99. "A Lipophilic Hexaporphyrin Assembly Supported on a Stannoxane Core"
    V. Chandrasekhar, S. Nagendran, R. Azhakar, M. R. Kumar, A. Srinivasan, K. Ray, T. K. Chandrashekar, C. Madhavaiah, S. Verma, U. D. Priyakumar, G. N. Sastry, J. Am. Chem. Soc. 2005, 127, 2410-2411.
    DOI: 10.1021/ja043748g
100. "Electronic Structure of Square Planar Bis(benzene-1,2-dithiolato)metal Complexes [M(L)₂]^z (z = 2-, 1-, 0; M = Ni, Pd, Pt, Cu, Au): An Experimental, Density Functional, and Correlated ab initio Study"
     K. Ray, T. Weyhermüller, F. Neese, K. Wieghardt, Inorg. Chem. 2005, 44, 5345-5360.
     DOI: 10.1021/ic0507565
101. "Redox-Noninnocence of the S,S'-Coordinated Ligands in Bis(benzene-1,2-dithiolato)iron Complexes"
     K. Ray, E. Bill, T. Weyhermüller, K. Wieghardt, J. Am. Chem. Soc. 2005, 127, 5641-5654.
     DOI: 10.1021/ja040237l
102. "The Electronic Structure of the Isoelectronic, Square Planar Complexes, [Fe^II(L)₂]^2- and [Co^III(L^Bu)₂]^- (L^2- and (L^Bu)^2- = benzene-1,2-dithiolates): An Experimental and Density Functional Theoretical Study"
     K. Ray, A. Begum, T. Weyhermüller, S. Piligkos, J. van Slageren, F. Neese, K. Wieghardt, J. Am. Chem. Soc. 2005, 127, 4403-4415.
     DOI: 10.1021/ja042803i
103. "Molecular and Electronic Structure of Four- and Five- Coordinate Cobalt Complexes Containing Two o-Phenylenediamine- or two o-Aminophenol-Type Ligands at Various Oxidation Levels: An Experimental, Density Functional, and Correlated ab initio Study"
     E. Bill, E. Bothe, P. Chaudhuri, K. Chlopek, D. Herebian, S. Kokatam, K. Ray, T. Weyhermüller, F. Neese, K. Wieghardt, Chem. Eur. J. 2004, 11, 204-224.
     DOI: 10.1002/chem.200400850
104. "Do S,S'–Coordinated o-dithiobenzosemiquinonate(1-) Radicals Exist in Coordination Compounds? The [Au^III(1,2-C₆H₄S₂)₂]^1-/0 Couple"
     K. Ray, T. Weyhermüller, A. Goossens, M. W. J. Crajé, K. Wieghardt, Inorg. Chem. 2003, 42, 4082-4087.
     DOI: 10.1021/ic0207092