Publikationen von Maurice van Gastel

Kalläne, S. I.; Hahn, A. W.; Weyhermüller, T.; Bill, E.; Neese, F.; DeBeer, S.; van Gastel, M.: Spectroscopic and Quantum Chemical Investigation of Benzene-1,2-dithiolate-Coordinated Diiron Complexes with Relevance to Dinitrogen Activation. Inorganic Chemistry 58 (8), S. 5111 - 5125 (2019)

Iffland, L.; Khedkar, A.; Petuker, A.; Lieb, M.; Wittkamp, F.; van Gastel, M.; Roemelt, M.; Apfel, U.-P.: Solvent-Controlled CO₂ Reduction by a Triphos–Iron Hydride Complex. Organometallics 38 (2), S. 289 - 299 (2019)

Rottschäfer, D.; Busch, J.; Neumann, B.; Stammler, H.-G.; van Gastel, M.; Kishi, R.; Nakano, M.; Ghadwal, R. S.: Diradical Character Enhancement by Spacing: N-Heterocyclic Carbene Analogues of Müller's Hydrocarbon. Chemistry – A European Journal 24 (62), S. 16537 - 16542 (2018)

Collins, L. R.; van Gastel, M.; Neese, F.; Fürstner, A.: Enhanced Electrophilicity of Heterobimetallic Bi–Rh Paddlewheel Carbene Complexes: A Combined Experimental, Spectroscopic, and Computational Study. Journal of the American Chemical Society 140 (40), S. 13042 - 13055 (2018)

Rodríguez-Maciá, P.; Reijerse, E. J.; van Gastel, M.; DeBeer, S.; Lubitz, W.; Rüdiger, O.; Birrell, J. A.: Sulfide Protects [FeFe] Hydrogenases From O₂. Journal of the American Chemical Society 140 (30), S. 9346 - 9350 (2018)

Schünemann, S.; van Gastel, M.; Tüysüz, H.: A CsPbBr₃/TiO₂ Composite for Visible-Light-Driven Photocatalytic Benzyl Alcohol Oxidation. ChemSusChem 11 (13), S. 2057 - 2061 (2018)

Rottschäfer, D.; Ho, N. K. T.; Neumann, B.; Stammler, H.-G.; van Gastel, M.; Andrada, D. M.; Ghadwal, R. S.: N‐Heterocyclic Carbene Analogues of Thiele and Chichibabin Hydrocarbons. Angewandte Chemie International Edition 57 (20), S. 5838 - 5842 (2018)

Rottschäfer, D.; Neumann, B.; Stammler, H.-G.; van Gastel, M.; Andrada, D. M.; Ghadwal, R. S.: Crystalline Radicals Derived from Classical N-Heterocyclic Carbenes. Angewandte Chemie International Edition 57 (17), S. 4765 - 4768 (2018)

Yamamoto, K.; Li, J.; Garber, J. A. O.; Rolfes, J. D.; Boursalian, G.; Borghs, J. C.; Genicot, C.; Jacq, J.; van Gastel, M.; Neese, F. et al.; Ritter, T.: Palladium-catalysed electrophilic aromatic C–H fluorination. Nature 554 (7693), S. 511 - 514 (2018)

Römelt, C.; Ye, S.; Bill, E.; Weyhermüller, T.; van Gastel, M.; Neese, F.: Electronic Structure and Spin Multiplicity of Iron Tetraphenylporphyrins in Their Reduced States as Determined by a Combination of Resonance Raman Spectroscopy and Quantum Chemistry. Inorganic Chemistry 57 (4), S. 2141 - 2148 (2018)

Römelt, C.; Song, J.; Tarrago, M.; Rees, J. A.; van Gastel, M.; Weyhermüller, T.; DeBeer, S.; Bill, E.; Neese, F.; Ye, S.: Electronic Structure of a Formal Iron(0) Porphyrin Complex Relevant to CO₂ Reduction. Inorganic Chemistry 56 (8), S. 4745 - 4750 (2017)

Das, R.; Neese, F.; van Gastel, M.: Hydrogen evolution in [NiFe] hydrogenases and related biomimetic systems: similarities and differences. Physical Chemistry Chemical Physics 18 (35), S. 24681 - 24692 (2016)

Chu, W.-Y.; Gilbert-Wilson, R.; Rauchfuss, T. B.; van Gastel, M.; Neese, F.: Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis. Organometallics 35 (17), S. 2900 - 2914 (2016)

Ogata, H.; Krämer, T.; Wang, H.; Schilter, D.; Pelmenschikov, V.; van Gastel, M.; Neese, F.; Rauchfuss, T. B.; Gee, L. B.; Scott, A. D. et al.; Yoda, Y.; Tanaka, Y.; Lubitz, W.; Cramer, S. P.: Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy. Nature Communications 6, 7890 (2015)

Kochem, A.; Weyhermüller, T.; Neese, F.; van Gastel, M.: EPR and Quantum Chemical Investigation of a Bioinspired Hydrogenase Model with a Redox-Active Ligand in the First Coordination Sphere. Organometallics 34 (5), S. 995 - 1000 (2015)

Kochem, A.; Bill, E.; Neese, F.; van Gastel, M.: Mössbauer and computational investigation of a functional [NiFe] hydrogenase model complex. Chemical Communications 51 (11), S. 2099 - 2102 (2015)

Barilone, J. L.; Neese, F.; van Gastel, M.: Finding the Reactive Electron in Paramagnetic Systems: A Critical Evaluation of Accuracies for EPR Spectroscopy and Density Functional Theory Using 1,3,5-Triphenyl Verdazyl Radical as a Testcase. Applied Magnetic Resonance 46 (2), S. 117 - 139 (2015)

Kochem, A.; Neese, F.; van Gastel, M.: Spectroscopic and Quantum Chemical Study of the Ni(PPh2NC6H4CH2P(O)(OEt)22)2 Electrocatalyst for Hydrogen Production with Emphasis on the NiI Oxidation State. The Journal of Physical Chemistry C 118 (5), S. 2350 - 2360 (2014)

Kochem, A.; Thomas, F.; Jarjayes, O.; Gellon, G.; Philouze, C.; Weyhermüller, T.; Neese, F.; van Gastel, M.: Structural and Spectroscopic Investigation of an Anilinosalen Cobalt Complex with Relevance to Hydrogen Production. Inorganic Chemistry 52 (24), S. 14428 - 14438 (2013)

Krämer, T.; Kampa, M.; Lubitz, W.; van Gastel, M.; Neese, F.: Theoretical Spectroscopy of the Ni^II Intermediate States in the Catalytic Cycle and the Activation of [NiFe] Hydrogenases. ChemBioChem: A European Journal of Chemical Biology 14 (14), S. 1898 - 1905 (2013)