Publications of Maurice van Gastel

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 2019, 38, 289–299.

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 2018, 24, 16537–16542.

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 2018, 140, 13042–13055.

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 2018, 140, 9346–9350.

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

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 2018, 57, 5838–5842.

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 2018, 57, 4765–4768.

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.; Ritter, T. Palladium-Catalysed Electrophilic Aromatic C–H Fluorination. Nature 2018, 554, 511–514.

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 2018, 57, 2141–2148.

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 2017, 56, 4745–4750.

Das, R.; Neese, F.; van Gastel, M. Hydrogen Evolution in [NiFe] Hydrogenases and Related Biomimetic Systems: Similarities and Differences. Physical Chemistry Chemical Physics 2016, 18, 24681–24692.

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 2016, 35, 2900–2914.

Ogata, H.; Krämer, T.; Wang, H.; Schilter, D.; Pelmenschikov, V.; van Gastel, M.; Neese, F.; Rauchfuss, T. B.; Gee, L. B.; Scott, A. D.; Yoda, Y.; Tanaka, Y.; Lubitz, W.; Cramer, S. P. Hydride Bridge in [NiFe]-Hydrogenase Observed by Nuclear Resonance Vibrational Spectroscopy. Nature Communications 2015, 6, 7890.

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 2015, 34, 995–1000.

Kochem, A.; Bill, E.; Neese, F.; van Gastel, M. Mössbauer and Computational Investigation of a Functional [NiFe] Hydrogenase Model Complex. Chemical Communications 2015, 51, 2099–2102.

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 2015, 46, 117–139.

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 2014, 118, 2350–2360.

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 2013, 52, 14428–14438.

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 2013, 14, 1898–1905.

Kampa, M.; Pandelia, M.-E.; Lubitz, W.; van Gastel, M.; Neese, F. A Metal–Metal Bond in the Light-Induced State of [NiFe] Hydrogenases with Relevance to Hydrogen Evolution. Journal of the American Chemical Society 2013, 135, 3915–3925.