Van Stappen, C.; Davydov, R.; Yang, Z.-Y.; Fan, R.; Guo, Y.; Bill, E.; Seefeldt, L. C.; Hoffman, B. M.; DeBeer, S., Spectroscopic description of the E1 state of Mo nitrogenase based on Mo and Fe X-ray absorption and Mössbauer studies. Inorg. Chem. 2019, 58, 12365-12376, 10.1021/acs.inorgchem.9b01951.

Van Stappen, C.; Thorhallsson, A. T.; Decamps, L.; Bjornsson, R.; DeBeer, S., Resolving the structure of the E1 state of Mo nitrogenase through Mo and Fe K-edge EXAFS and QM/MM calculations. Chem. Sci. 2019, in press, doi:10.1039/C9SC02187F.

Angel, S.; Neises, J.; Dreyer, M.; Friedel Ortega, K.; Behrens, M.; Wang, Y.; Arandiyan, H.; Schulz, C.; Wiggers, H., Spray ‐ flame synthesis of La(Fe, Co)O3 nano‐ perovskites from metal nitrates. AIChE J. 2019, in press, doi:10.1002/aic.16748.

Speelman, A. L.; Čorić, I.; van Stappen, C.; DeBeer, S.; Mercado, B. Q.; Holland, P. L., Nitrogenase-relevant reactivity of a synthetic iron-sulfur-carbon site. J. Am. Chem. Soc. 2019, 141, 13148-13157, doi:10.1021/jacs.9b05353.

Alfarano, S. R.; Vondracek, H.; Sebastiani, F.; Novelli, F.; Hoberg, C.; Kolling, I.; Brubach; Jean-Blaise; Roy, P.; Schwaab, G.; Havenith, M., Does hydrated glycine act as solidification nucleus at multi-kilobar conditions? Biophys. Chem. 2019, 253, 106215, doi:10.1016/j.bpc.2019.106215.

Spanos, I.; Tesch, M. F.; Yu, M.; Tüysüz, H.; Zhang, J.; Feng, X.; Müllen, K.; Schlögl, R.; Mechler, A. K., A facile protocol for alkaline electrolyte purification and its influence on a Ni-Co oxide catalyst for the oxygen evolution reaction. ACS Catalysis 2019, in press, doi: 10.1021/acscatal.9b01940.

Dzialkowski, K.; Gehlhaar, C.; Wölper, C.; Auer, A.; Schulz, S., Structure and reactivity of 1,8-Bis(naphthalenedityl)dipnictanes. Organometallics 2019, 38, 2927-2942, doi:10.1021/acs.organomet.9b00269.

Behnken, J.; Yu, M.; Deng, X.; Tüysüz, H.; Harms, C.; Dyck, A.; Wittstock, G., Oxygen reduction reaction activity of mesostructured cobalt-based metal oxides studied with the Cavity-Microelectrode Technique. ChemElectroChem 2019, 6, 3460-3467, doi:10.1002/celc.201900722.

Guo, P.; Fu, Q.; Yildiz, C.; Chen, Y.-T.; Ollegott, K.; Froese, C.; Kleist, W.; Fischer, R. A.; Wang, Y.; Muhler, M.; Peng, B., Regulating the size and spatial distribution of Pd nanoparticles supported by the defect engineered metal-organic framework HKUST-1 and applied in the aerobic oxidation of cinnamyl alcohol. Catal. Sci. Technol. 2019, 9, 3703-3710, doi: 10.1039/C9CY00560A.


Kowalska, J.; Henthorn, J.; van Stappen, C.; Trncik, C.; Einsle, O.; Keavney, D.; DeBeer, S., X-ray magnetic circular dichroism spectroscopy applied to nitrogenase and related models: experimental evidence for a spin-coupled Mo(III). Angew. Chem., Int. Ed. 2019, 58, 9373-9377, doi: 10.1002/anie.201901899. // German Edition: Angew. Chem. 2019, 131, 9473-9411, doi: 10.1002/ange.201901899.

Macchieraldo, R.; Gehrke, S.; Batchu, N. K.; Kirchner, B.; Binnemans, K., Tuning solvent miscibility: a fundamental assessment on the example of induced methanol/n-dodecane phase separation. J. Phys. Chem. B 2019, 123, 4400-4407, doi: 10.1021/acs.jpcb.9b00839.

Zhao, G.; Busser, G. W.; Froese, C.; Hu, B.; Bonke, S. A.; Schnegg, A.; Ai, Y.; Wei, D.; Wang, X.; Peng, B.; Muhler, M., Anaerobic alcohol conversion to carbonyl compounds over nanoscaled Rh-doped SrTiO3 under visible light. J. Phys. Chem. Lett. 2019, 2075-2080, doi: 10.1021/acs.jpclett.9b00621.

Joshi, H.; Schmidt, W.; Schüth, F., Encapsulation of sub-micrometer sized zeolites by porous silica - towards a rational design strategy for functional yolk-shells. Micropor. Mesopor. Mat. 2019, 282, 1-8, doi: 10.1016/j.micromeso.2019.03.013.

Ulpe, A.C.; Bauerfeind, K. C. L.; Bredow, T., Influence of spin state and cation distribution on stability and electronic properties of ternary transition-metal oxides. ACS Omega 2019, 4, 4138-4146, doi: 10.1021/acsomega.8b03254.

Öhl, D.; Franzen, D.; Paulisch, M.; Dieckhöfer, S.; Barwe, S.; Andronescu, C.; Manke, I.; Turek, T.; Schuhmann, W., Catalytic reactivation of industrial oxygen depolarized cathodes by in situ generation of atomic hydrogen. ChemSusChem 2019, 12, 2732-2739, doi:10.1002/cssc.201900628.

Kazakova, M. A.; Morales, D. M.; Andronescu, C.; Elumeeva, K.; Selyutin, A. G.; Ishchenko, A. V.; Golubtsov, G. V.; Dieckhöfer, S.; Schuhmann, W.; Masa, J., Fe/Co/Ni mixed oxide nanoparticles supported on oxidized multi-walled carbon nanotubes as electrocatalysts for the oxygen reduction and the oxygen evolution reactions in alkaline media. Catal. Today 2019, in press, doi:10.1016/j.cattod.2019.02.047

Daun, K. J.; Menser, J.; Asif, M.; Musikhin, S.; Dreier, T.; Schulz, C., Evaluation of Drude parameters for liquid Germanium nanoparticles through aerosol-based line-of-sight attenuation measurements. J. Quant. Spectrosc. Radiat. Transf. 2019, 226, 146-156, doi:10.1016/j.jqsrt.2019.01.021

Krüger, J.; Wölper, C.; John, L.; Song, L.; Schreiner, P. R.; Schulz, S., Syntheses, structures, and bonding analyses of carbene-stabilized stibinidenes. Eur. J. Inorg. Chem. 2019, 1669-1678, doi:10.1002/ejic.201900167.

Moon, G.-h.; Yu, M.; Chan, C. K.; Tüysüz, H., Highly Active Cobalt-Based Electrocatalysts with Facile Incorporation of Dopants for Oxygen Evolution Reaction. Angew. Chem., Int. Ed. 2019, 58, 3491-3495, doi:10.1002/anie.201813052.

Gehrke, S.; Macchieraldo, R.; Kirchner, K. N., Understanding the fluidity of condensed phase systems in terms of voids - novel algorithm, implementation and application. Phys. Chem. Chem. Phys. 2019, 21, 4988-4997, doi: 10.1039/C8CP07120A.

Ray, P.; Elfgen, R.; Kirchner, B., Cation influence on heterocyclic ammonium ionic liquids: a molecular dynamics study. Phys. Chem. Chem. Phys. 2019, 21, 4472-4486, doi: 10.1039/C8CP07683A.

Yu, M.; Moon, G.-h.; Bill, E.; Tüysüz, H., Optimizing Ni-Fe oxide electrocatalysts for oxygen evolution reaction by using hard templating as a toolbox. ACS Appl. Energ. Mater. 2019, 2, 1199-1209, doi: 10.1021/acsaem.8b01769.

Gehrke, S.; Reckien, W.; Palazzo, I.; Welton, T.; Hollóczki, O., On the Carbene-like Reactions of Imidazolium Acetate Ionic Liquids. Can Theory and Experiments Agree? Eur. J. Org. Chem. 2019, 2-3, 504-511. DOI: 10.1002/ejoc.201801050




Barwe, S.; Weidner, J.; Cychy, S.; Morales, D. M.; Dieckhöfer, S.; Hiltrop, D.; Masa, J.; Muhler, M.; Schuhmann, W., Electrocatalytic oxidation of 5-(Hydroxymethyl)furfural using high-surface-area nickel boride. Angew. Chem., Int. Ed. 2018, 57, 11460-11464, doi:10.1002/anie.201806298.

Riemer, D.; Schilling, W.; Goetz, A.; Zhang, Y.; Gehrke, S.; Hollóczki, O.; Das, S., CO2-catalyzed efficient dehydrogenation of amines with detailed mechanistic and kinetic studies. ACS Catal. 2018, 8, 11679-11687, doi: 10.1021/acscatal.8b03059.

Joshi, H.; Jalalpoor, D.; Ochoa-Hernández, C.; Schmidt, W.; Schüth, F., Ozone treatment: A versatile tool for postsynthesis modification of porous silica-based materials. Chem. Mater. 2018, 30, 8905-8914. doi: 10.1021/acs.chemmater.8b04113.

Losch, P.; Joshi, H.; Vozniuk, O.; Grünert, A.; Ochoa-Hernández, C.; Jabraoui, H.; Badawi, M.; Schmidt, W., Proton mobility, intrinsic acid strength, and acid site location in zeolites revealed by varying temperature infrared spectroscopy and density functional theory studies. J. Am. Chem. Soc. 2018, 140, 17790-1799. doi: 10.1021/jacs.8b11588.

Xu, Y.; Özcan, F.; Zielke, P.; Becker, S.; Heimann, M.; Heese, J.; Chakrapani, K.; Behrens, M.; Bredmose Simonsen, S.; Norby, P.; Vang Hendriksen, P.; Kiebach, R., Continuous hydrothermal flow synthesis of Co1–xNixFe2O4 (x = 0–0.8) nanoparticles and their catalytic properties for CO oxidation and oxygen evolution reaction. Z. Anorg. Allg. Chem. 2018, 644, 1727-1733. doi: 10.1002/zaac.201800307.

Pichler, C. M.; Gu, D.; Joshi, H.; Schüth, F., Influence of preparation method and doping of zirconium oxide onto the material characteristics and catalytic activity for the HDO reaction in nickel on zirconium oxide catalysts. J. Catal. 2018, 365, 367-375. DOI: 10.1016/j.jcat.2018.07.021.

Pichler, C. M.; Al-Shaal, M. G.; Gu, D.; Joshi, H.; Ciptonugroho, W.; Schüth, F., Ruthenium supported on high-surface-area zirconia as an efficient catalyst for the base-free oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid. ChemSusChem 2018, 11, 2083-2090. DOI: 10.1002/cssc.201800448.

Macchieraldo, R.; Esser, L.; Elfgen, R.; Voepel, P.; Zahn, S.; Smarsly, B. M.; Kirchner, B., Hydrophilic ionic liquid mixtures of weakly and strongly coordinating anions with and without water. ACS Omega 2018, 3, 8567-8582. DOI: 10.1021/acsomega.8b00995

Kortewille, B.; Wachs, I. E.; Cibura, N.; Pfingsten, O.; Bacher, G.; Muhler, M.; Strunk, J., Photocatalytic Methanol Oxidation by Supported VanadiumOxide Species: Influence of Support and Degree of Oligomerization. Eur. J. Inorg. Chem. 2018, 3725–3735. DOI:10. 10.1002/ejic.201800490 1002/ejic.201800490

Ganesamoorthy, C.; Krüger, J.; Glöckler, E.; Helling, C.; John, L.; Frank, W.; Wölper, C.; Schulz, S. Comprehensive study on reactions of group 13 diyls with tetraorganodipentelanes. Inorg. Chem. 2018, 57, 9495-9503. DOI:10.1021/acs.inorgchem.8b01489

Guo, P.; Froese, C.; Fu, Q.; Chen, Y.-T.; Peng, B.; Kleist, W.; Fischer, R. A.; Muhler, M.; Wang, Y., CuPd mixed-metal HKUST-1 as catalyst for aerobic alcohol oxidation. J. Phys. Chem. C. 2018, 122, 21433-21440. DOI: 10.1021/acs.jpcc.8b05882.

Krüger, J.; Schoening, J.; Ganesamoorthy, C.; John, L.; Wölper, C.; Schulz, S., Synthesis and x-ray crystal structures of Ga-substituted Distibenes [L(X)GaSb]2. Z. Anorg. Allg. Chem. 2018, 644, 1028-1033. DOI:10.1002/zaac.201800204.

Ulrich, V.; Froese, C.; Moroz, B.; Pyrjaev, P.; Gerasimov, E.; Sinev, I.; Cuenya, B. R.; Muhler, M.; Bukhtiyarov, V.; Grünert, W., Three-way catalysis with supported gold catalysts: poisoning effects of hydrocarbons. Appl. Catal. B-Environ. 2018, 237, 1021-1032. DOI: 10.1016/j.apcatb.2018.06.063

Smith, C. J.; Gehrke, S.; Holloczki, O.; Wagle, D. V.; Heitz, M. P.; Baker, G. A., NMR relaxometric probing of ionic liquid dynamics and diffusion under mesoscopic confinement within bacterial cellulose ionogels. J. Chem. Phys. 2018, 148, 193845. DOI: 10.1063/1.5016337.

Heckel, A.; Bendt, G.; John, L.; Wölper, C.; Schulz, S., Synthesis and solid-state structures of t-Bu3Ga_EPh3 Lewis acid-base adducts. Appl. Organomet. Chem. 2018 e4430.

Gehrke, S.; Holloczki, O., Hydrogen Bonding of N-Heterocyclic Carbenes in Solution: Mechanisms of Solvent Reorganization. Chem. Eur. J. 2018,24, 11594. 10.1002/chem.201802286.

Van Stappen, C.; Maganas, D.; DeBeer, S.; Bill, E.; Neese, F., Investigations of the magnetic and spectroscopic properties of V(III) and V(IV) complexes. Inorg. Chem. 2018, 57, 6421-6438. 10.1021/acs.inorgchem.8b00486

Krüger, J.; Ganesamoorthy, C.; John, L.; Wölper, C., Schulz, S., A General Pathway for the Synthesis of Gallastibenes containing Ga=Sb Double Bonds. Chem. Eur. J. 2018, 24, 9157-9164. doi:10.1002/chem.201801813.

Ingenmey, J.; Gehrke, S., Kirchner, B., How to harvest Grotthuss diffusion in protic ionic liquid electrolyte systems. ChemSusChem 2018, 11, 1900-1910. DOI:10.1002/cssc.201800436.

Naglav, D.; Tobey, B.; Dzialkowski, K.; Bläser, D.; Wolper, C.; Jansen, G.; Schulz, S., Solvent-induced ion separation of a beryllium scorpionate complex. Dalton Trans. 2018, 47, 12511-12515. DOI: 10.1039/C8DT01640B.

Kortewille, B., Wachs, I. E., Cibura, N., Pfingsten, O., Bacher, G., Muhler, M., Strunk, J.: Proof of equivalent catalytic functionality upon photon‐induced and thermal activation of supported isolated vanadia species in methanol oxidation. ChemCatChem 2018, 10, 2360-2364. DOI: 10.1002/cctc.201800311

Chakrapani, K., Özcan, F., Ortega, K. F., Machowski, T., Behrens, M.: Composition-dependent effect of the calcination of cobalt-, nickel-, and gallium-based layered double hydroxides to mixed metal oxides in the oxygen evolution reaction. ChemElectroChem 2018, 5:93-100. DOI: 10.1002/celc.201700936

Gehrke, S., von Domaros, M., Clark. R., Hollóczki, O., Brehm, M., Welton, T., Luzar, A. and Kirchner, B.:  Structure and lifetimes in ionic liquids and their mixtures, Faraday Discuss., 2018, 206: 219-245. DOI: 10.1039/C7FD00166E

Yu, M.; Chan, C.; Tüysüz, H.: Coffee waste templating of metal ion substituted cobalt oxides for oxygen evolution reaction. ChemSusChem, 2018, 11: 605-611. DOI: 10.1002/cssc.201701877


Ortega, K. F., Anke, S., Salamon, S., Özcan, F., Heese, J., Andronescu, C., Landers, J., Wende, H., Schuhmann, W., Muhler, M., Lunkenbein, T., Behrens, M.: Topotactic synthesis of porous cobalt ferrite platelets from a layered double hydroxide precursor and their application in oxidation catalysis. Chem. Eur. J. 2017, 23:12443-12449. DOI: 10.1002/chem.201702248

Elfgen, R.; Holloczki, O.; Kirchner, B.: A molecular level understanding of template effects in ionic liquids. Acc. Chem. Res., 2017, 50: 2949-2957. DOI: 10.1021/acs.accounts.7b00436

Gehrke, S., Schmitz, K., Hollóczki, O. Is carbene formation necessary for dissolving cellulose in ionic liquids? Gehrke, S.; Hollóczki, O.: Are there carbenes in N-heterocyclic carbene organocatalysis? J. Phys. Chem B. 121:4521-4529 DOI: 10.1021/acs.jpcb.7b00631.

Gomez Castillo, R.; Banerjee, R.; Allpress, C.; Rohde, G. T.; Bill, E.; Que Jr., L.; Lipscomb, J. D.; DeBeer, S.: High-energy resolution fluorescence detected X-ray absorption of the Q intermediate of soluble methane monooxygenase. J. Am. Chem. Soc. 2017, 139: 18024-18033. DOI: 10.1021/jacs.7b09560

Gehrke, S.; Hollóczki, O.: Are there carbenes in N-heterocyclic carbene organocatalysis? Angew. Chem. Int. Ed. 2017, 56: 16395-16398. DOI: 10.1002/anie.201708305 // German Translation: Treten in der N-heterozyklischen Carben-Organokatalyse wirklich Carbene auf? Angew. Chem. 2017, 129: 16613-16617.

Elfgen, R., Holloczki, O., Ray, P., Groh, M. F., Ruck, M., Kirchner, B.: Theoretical investigation of the Te4Br2 molecule in ionic liquids. Z. Anorg. Allg. Chem., 2017, 643, 41-52, DOI: 10.1002/zaac.201600342


Gehrke S., Hollóczki O.: A molecular mechanical model for N-heterocyclic carbenes. Phys. Chem. Chem. Phys. 2016, 18, 22070 – 22080, DOI: 10.1039/C6CP02624A


Spectroscopy and Electronic Structure of Transition Metal Complexes

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Wissenschaftspark Gelsenkirchen, Germany

"Materials for Catalysis and Energy Applications"

October 10th - 11th, 2019
Université Paris-Sud, Orsay, France

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