@article{35687, author = {{Zhou, Rundong and Paradies, Jan}}, issn = {{1434-193X}}, journal = {{European Journal of Organic Chemistry}}, keywords = {{Organic Chemistry, Physical and Theoretical Chemistry}}, number = {{46}}, pages = {{6334--6339}}, publisher = {{Wiley}}, title = {{{Borane Catalyzed Redox Isomerization of 2‐Amino Chalcones: Hydride Abstraction or Hydride Migration?}}}, doi = {{10.1002/ejoc.202100883}}, volume = {{2021}}, year = {{2021}}, } @article{40573, author = {{Wang, Huize and Delacroix, Simon and Osswald, Oliver and Anderson, Mackenzie and Heil, Tobias and Lepre, Enrico and Lopez Salas, Nieves and Kaner, Richard B. and Smarsly, Bernd and Strauss, Volker}}, issn = {{0008-6223}}, journal = {{Carbon}}, keywords = {{General Chemistry, General Materials Science}}, pages = {{500--510}}, publisher = {{Elsevier BV}}, title = {{{Laser-carbonization: Peering into the formation of micro-thermally produced (N-doped)carbons}}}, doi = {{10.1016/j.carbon.2021.01.145}}, volume = {{176}}, year = {{2021}}, } @article{40575, author = {{Lopez Salas, Nieves and Antonietti, Markus}}, issn = {{0009-2673}}, journal = {{Bulletin of the Chemical Society of Japan}}, keywords = {{General Chemistry}}, number = {{12}}, pages = {{2822--2828}}, publisher = {{The Chemical Society of Japan}}, title = {{{Carbonaceous Materials: The Beauty of Simplicity}}}, doi = {{10.1246/bcsj.20210264}}, volume = {{94}}, year = {{2021}}, } @article{40562, author = {{da Silva, Marcos A.R. and Silva, Ingrid F. and Xue, Qi and Lo, Benedict T.W. and Tarakina, Nadezda V. and Nunes, Barbara N. and Adler, Peter and Sahoo, Sudhir K. and Bahnemann, Detlef W. and Lopez Salas, Nieves and Savateev, Aleksandr and Ribeiro, Caue and Kühne, Thomas D. and Antonietti, Markus and Teixeira, Ivo F.}}, issn = {{0926-3373}}, journal = {{Applied Catalysis B: Environmental}}, keywords = {{Process Chemistry and Technology, General Environmental Science, Catalysis}}, publisher = {{Elsevier BV}}, title = {{{Sustainable oxidation catalysis supported by light: Fe-poly (heptazine imide) as a heterogeneous single-atom photocatalyst}}}, doi = {{10.1016/j.apcatb.2021.120965}}, volume = {{304}}, year = {{2021}}, } @article{41323, author = {{Ziegler, Felix and Kraus, Hamzeh and Benedikter, Mathis J. and Wang, Dongren and Bruckner, Johanna R. and Nowakowski, Michal and Weißer, Kilian and Solodenko, Helena and Schmitz, Guido and Bauer, Matthias and Hansen, Niels and Buchmeiser, Michael R.}}, issn = {{2155-5435}}, journal = {{ACS Catalysis}}, keywords = {{Catalysis, General Chemistry}}, number = {{18}}, pages = {{11570--11578}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes}}}, doi = {{10.1021/acscatal.1c03057}}, volume = {{11}}, year = {{2021}}, } @article{41325, author = {{Huber‐Gedert, Marina and Nowakowski, Michał and Kertmen, Ahmet and Burkhardt, Lukas and Lindner, Natalia and Schoch, Roland and Herbst‐Irmer, Regine and Neuba, Adam and Schmitz, Lennart and Choi, Tae‐Kyu and Kubicki, Jacek and Gawelda, Wojciech and Bauer, Matthias}}, issn = {{0947-6539}}, journal = {{Chemistry – A European Journal}}, keywords = {{General Chemistry, Catalysis, Organic Chemistry}}, number = {{38}}, pages = {{9905--9918}}, publisher = {{Wiley}}, title = {{{Fundamental Characterization, Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad}}}, doi = {{10.1002/chem.202100766}}, volume = {{27}}, year = {{2021}}, } @article{41322, author = {{Panyam, Pradeep K. R. and Atwi, Boshra and Ziegler, Felix and Frey, Wolfgang and Nowakowski, Michal and Bauer, Matthias and Buchmeiser, Michael R.}}, issn = {{0947-6539}}, journal = {{Chemistry – A European Journal}}, keywords = {{General Chemistry, Catalysis, Organic Chemistry}}, number = {{68}}, pages = {{17220--17229}}, publisher = {{Wiley}}, title = {{{Rh(I)/(III)‐N‐Heterocyclic Carbene Complexes: Effect of Steric Confinement Upon Immobilization on Regio‐ and Stereoselectivity in the Hydrosilylation of Alkynes}}}, doi = {{10.1002/chem.202103099}}, volume = {{27}}, year = {{2021}}, } @article{41324, author = {{Maier, Sarah and Cronin, Steve P. and Vu Dinh, Manh-Anh and Li, Zheng and Dyballa, Michael and Nowakowski, Michal and Bauer, Matthias and Estes, Deven P.}}, issn = {{0276-7333}}, journal = {{Organometallics}}, keywords = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry}}, number = {{11}}, pages = {{1751--1757}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Immobilized Platinum Hydride Species as Catalysts for Olefin Isomerizations and Enyne Cycloisomerizations}}}, doi = {{10.1021/acs.organomet.1c00216}}, volume = {{40}}, year = {{2021}}, } @article{40570, abstract = {{Copper- and nitrogen-doped carbonaceous materials, obtained by a simple synthetic procedure are highly efficient and fast catalysts for the oxygen reduction reaction. It is shown, that Cu(i) containing materials perform with faster reaction kinetics.}}, author = {{Kossmann, Janina and Ortíz Sánchez-Manjavacas, María Luz and Zschiesche, Hannes and Tarakina, Nadezda V. and Antonietti, Markus and Albero, Josep and Lopez Salas, Nieves}}, issn = {{2050-7488}}, journal = {{Journal of Materials Chemistry A}}, keywords = {{General Materials Science, Renewable Energy, Sustainability and the Environment, General Chemistry}}, number = {{11}}, pages = {{6107--6114}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{CuII/CuI decorated N-doped carbonaceous electrocatalysts for the oxygen reduction reaction}}}, doi = {{10.1039/d1ta09459a}}, volume = {{10}}, year = {{2021}}, } @article{40569, author = {{Kossmann, Janina and Rothe, Regina and Heil, Tobias and Antonietti, Markus and Lopez Salas, Nieves}}, issn = {{0021-9797}}, journal = {{Journal of Colloid and Interface Science}}, keywords = {{Colloid and Surface Chemistry, Surfaces, Coatings and Films, Biomaterials, Electronic, Optical and Magnetic Materials}}, pages = {{880--888}}, publisher = {{Elsevier BV}}, title = {{{Ultrahigh water sorption on highly nitrogen doped carbonaceous materials derived from uric acid}}}, doi = {{10.1016/j.jcis.2021.06.012}}, volume = {{602}}, year = {{2021}}, } @article{41002, abstract = {{Homogeneous catalysts immobilized on metal oxides often have different catalytic properties than in homogeneous solution. This can be either activating or deactivating and is often attributed to interactions of catalyst species with the metal oxide surface. However, few studies have ever demonstrated the effect that close associations of active sites with surfaces have on the catalytic activity. In this paper, we immobilize H2Ru(PPh3)2(Ph2P)2N–C3H6–Si(OEt)3 (3) on SiO2, Al2O3, and ZnO and interrogate the relationship to the surface using IR, MAS NMR, 1H–31P HETCOR, and XAS spectroscopies. We found that while there are close contacts between the P atoms of the complex and all three metal oxide surfaces, the Ru–H bond only reacts with oxygen bridges on SiO2 and Al2O3, forming new Ru–O bonds. In contrast, complex 3 stays intact on ZnO. Comparison of the catalytic activities of our immobilized species for CO2 hydrogenation to ethyl formate showed that Lewis acidic metal oxides activate, rather than deactivate, complex 3 in the order Al2O3 > ZnO > SiO2. The Lewis acidic sites on the metal oxide surfaces most likely increase the productivity by increasing the rate of esterification of formate intermediates.}}, author = {{Nguyen, Hoang-Huy and Li, Zheng and Enenkel, Toni and Hildebrand, Joachim and Bauer, Matthias and Dyballa, Michael and Estes, Deven P.}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, keywords = {{Surfaces, Coatings and Films, Physical and Theoretical Chemistry, General Energy, Electronic, Optical and Magnetic Materials}}, number = {{27}}, pages = {{14627--14635}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Probing the Interactions of Immobilized Ruthenium Dihydride Complexes with Metal Oxide Surfaces by MAS NMR: Effects on CO2 Hydrogenation}}}, doi = {{10.1021/acs.jpcc.1c02074}}, volume = {{125}}, year = {{2021}}, } @article{40998, abstract = {{Covalent organic frameworks (COFs) offer vast structural and chemical diversity enabling a wide and growing range of applications. While COFs are well-established as heterogeneous catalysts, so far, their high and ordered porosity has scarcely been utilized to its full potential when it comes to spatially confined reactions in COF pores to alter the outcome of reactions. Here, we present a highly porous and crystalline, large-pore COF as catalytic support in α,ω-diene ring-closing metathesis reactions, leading to increased macrocyclization selectivity. COF pore-wall modification by immobilization of a Grubbs-Hoveyda-type catalyst via a mild silylation reaction provides a molecularly precise heterogeneous olefin metathesis catalyst. An increased macro(mono)cyclization (MMC) selectivity over oligomerization (O) for the heterogeneous COF-catalyst (MMC:O=1.35) of up to 51 % compared to the homogeneous catalyst (MMC:O=0.90) was observed along with a substrate-size dependency in selectivity, pointing to diffusion limitations induced by the pore confinement.}}, author = {{Emmerling, Sebastian T. and Ziegler, Felix and Fischer, Felix R. and Schoch, Roland and Bauer, Matthias and Plietker, Bernd and Buchmeiser, Michael R. and Lotsch, Bettina V.}}, issn = {{0947-6539}}, journal = {{Chemistry – A European Journal}}, keywords = {{General Chemistry, Catalysis, Organic Chemistry}}, number = {{8}}, publisher = {{Wiley}}, title = {{{Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity}}}, doi = {{10.1002/chem.202104108}}, volume = {{28}}, year = {{2021}}, } @article{41003, abstract = {{Combining strong σ-donating N-heterocyclic carbene ligands and π-accepting pyridine ligands with a high octahedricity in rigid iron(II) complexes increases the 3MLCT lifetime from 0.15 ps in the prototypical [Fe(tpy)2]2+ complex to 9.2 ps in [Fe(dpmi)2]2+12+. The tripodal CNN ligand dpmi (di(pyridine-2-yl)(3-methylimidazol-2-yl)methane) forms six-membered chelate rings with the iron(II) centre leading to close to 90° bite angles and enhanced iron-ligand orbital overlap}}, author = {{Reuter, Thomas and Kruse, Ayla and Schoch, Roland and Lochbrunner, Stefan and Bauer, Matthias and Heinze, Katja}}, issn = {{1359-7345}}, journal = {{Chemical Communications}}, keywords = {{Materials Chemistry, Metals and Alloys, Surfaces, Coatings and Films, General Chemistry, Ceramics and Composites, Electronic, Optical and Magnetic Materials, Catalysis}}, number = {{61}}, pages = {{7541--7544}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Higher MLCT lifetime of carbene iron(ii) complexes by chelate ring expansion}}}, doi = {{10.1039/d1cc02173g}}, volume = {{57}}, year = {{2021}}, } @article{40997, abstract = {{On transition metals such as iron rests lots of hope to replace precious metal catalysts in the field of photochemistry for a more sustainable future. Indeed, significant progress has been made in recent years in terms of lifetime extension and emerging applications in catalysis. For this reason, recent synthetic strategies of new photoactive iron compounds, which have proved to show particularly promising properties, are reviewed here. The lifetime of the excited state serves as a key parameter for comparison with the standard ruthenium complex, [Ru(bpy)3]2+, to discuss the potential and performance of the iron complexes. This approach is complemented by a more holistic examination of the sustainability of such a substitution strategy in order to answer the question: when or at which point can we assume that iron represents a more sustainable alternative for noble metals in photochemical applications?}}, author = {{Dierks, Philipp and Vukadinovic, Yannik and Bauer, Matthias}}, issn = {{2052-1553}}, journal = {{Inorganic Chemistry Frontiers}}, keywords = {{Inorganic Chemistry}}, number = {{2}}, pages = {{206--220}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Photoactive iron complexes: more sustainable, but still a challenge}}}, doi = {{10.1039/d1qi01112j}}, volume = {{9}}, year = {{2021}}, } @article{41000, abstract = {{Metal-catalyzed C−H activations are environmentally and economically attractive synthetic strategies for the construction of functional molecules as they obviate the need for pre-functionalized substrates and minimize waste generation. Great challenges reside in the control of selectivities, the utilization of unbiased hydrocarbons, and the operation of atom-economical dehydrocoupling mechanisms. An especially mild borylation of benzylic CH bonds was developed with the ligand-free pre-catalyst Co[N(SiMe3)2]2 and the bench-stable and inexpensive borylation reagent B2pin2 that produces H2 as the only by-product. A full set of kinetic, spectroscopic, and preparative mechanistic studies are indicative of a tandem catalysis mechanism of CH-borylation and dehydrocoupling via molecular CoI catalysts.}}, author = {{Ghosh, Pradip and Schoch, Roland and Bauer, Matthias and Jacobi von Wangelin, Axel}}, issn = {{1433-7851}}, journal = {{Angewandte Chemie International Edition}}, keywords = {{General Chemistry, Catalysis}}, number = {{1}}, publisher = {{Wiley}}, title = {{{Selective Benzylic CH‐Borylations by Tandem Cobalt Catalysis}}}, doi = {{10.1002/anie.202110821}}, volume = {{61}}, year = {{2021}}, } @article{41013, abstract = {{Within this article, it is shown that an electrochemical defluorination and additional fluorination of Ruddlesden–Popper-type La2NiO3F2 is possible within all-solid-state fluoride-ion batteries. Structural changes within the reduced and oxidized phases have been examined by X-ray diffraction studies at different states of charging and discharging. The synthesis of the oxidized phase La2NiO3F2+x proved to be successful by structural analysis using both X-ray powder diffraction and automated electron diffraction tomography techniques. The structural reversibility on re-fluorinating and re-defluorinating is also demonstrated. Moreover, the influence of different sequences of consecutive reduction and oxidation steps on the formed phases has been investigated. The observed structural changes have been compared to changes in phases obtained via other topochemical modification approaches such as hydride-based reduction and oxidative fluorination using F2 gas, highlighting the potential of such electrochemical reactions as alternative synthesis routes. Furthermore, the electrochemical routes represent safe and controllable synthesis approaches for novel phases, which cannot be synthesized via other topochemical methods. Additionally, side reactions, occurring alongside the desired electrochemical reactions, have been addressed and the cycling performance has been studied.}}, author = {{Wissel, Kerstin and Schoch, Roland and Vogel, Tobias and Donzelli, Manuel and Matveeva, Galina and Kolb, Ute and Bauer, Matthias and Slater, Peter R. and Clemens, Oliver}}, issn = {{0897-4756}}, journal = {{Chemistry of Materials}}, keywords = {{Materials Chemistry, General Chemical Engineering, General Chemistry}}, number = {{2}}, pages = {{499--512}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Electrochemical Reduction and Oxidation of Ruddlesden–Popper-Type La2NiO3F2 within Fluoride-Ion Batteries}}}, doi = {{10.1021/acs.chemmater.0c01762}}, volume = {{33}}, year = {{2021}}, } @article{41010, abstract = {{We present the η3-coordination of the 2-phosphaethynthiolate anion in the complex (PN)2La(SCP) (2) [PN=N-(2-(diisopropylphosphanyl)-4-methylphenyl)-2,4,6-trimethylanilide)]. Structural comparison with dinuclear thiocyanate-bridged (PN)2La(μ-1,3-SCN)2La(PN)2 (3) and azide-bridged (PN)2La(μ-1,3-N3)2La(PN)2 (4) complexes indicates that the [SCP]− coordination mode is mainly governed by electronic, rather than steric factors. Quantum mechanical investigations reveal large contributions of the antibonding π*-orbital of the [SCP]− ligand to the LUMO of complex 2, rendering it the ideal precursor for the first functionalization of the [SCP]− anion. Complex 2 was therefore reacted with CAACs which induced a selective rearrangement of the [SCP]− ligand to form the first CAAC stabilized group 15–group 16 fulminate-type complexes (PN)2La{SPC(RCAAC)} (5 a,b, R=Ad, Me). A detailed reaction mechanism for the SCP-to-SPC isomerization is proposed based on DFT calculations.}}, author = {{Watt, Fabian A. and Burkhardt, Lukas and Schoch, Roland and Mitzinger, Stefan and Bauer, Matthias and Weigend, Florian and Goicoechea, Jose M. and Tambornino, Frank and Hohloch, Stephan}}, issn = {{1433-7851}}, journal = {{Angewandte Chemie International Edition}}, keywords = {{General Chemistry, Catalysis}}, number = {{17}}, pages = {{9534--9539}}, publisher = {{Wiley}}, title = {{{η 3 ‐Coordination and Functionalization of the 2‐Phosphaethynthiolate Anion at Lanthanum(III)**}}}, doi = {{10.1002/anie.202100559}}, volume = {{60}}, year = {{2021}}, } @article{41012, abstract = {{Here we explore the electronic structure of the diiron complex [(dppf)Fe(CO)3]0/+ [10/+; dppf = 1,1′-bis(diphenylphosphino)ferrocene] in two oxidation states by an advanced multitechnique experimental approach. A combination of magnetic circular dichroism, X-ray absorption and emission, high-frequency electron paramagnetic resonance (EPR), and Mössbauer spectroscopies is used to establish that oxidation of 10 occurs on the carbonyl iron ion, resulting in a low-spin iron(I) ion. It is shown that an unequivocal result is obtained by combining several methods. Compound 1+ displays slow spin dynamics, which is used here to study its geometric structure by means of pulsed EPR methods. Surprisingly, these data show an association of the tetrakis[3,5-bis(trifluoromethylphenyl)]borate counterion with 1+.}}, author = {{Winkler, Mario and Schnierle, Marc and Ehrlich, Felix and Mehnert, Kim-Isabelle and Hunger, David and Sheveleva, Alena M. and Burkhardt, Lukas and Bauer, Matthias and Tuna, Floriana and Ringenberg, Mark R. and van Slageren, Joris}}, issn = {{0020-1669}}, journal = {{Inorganic Chemistry}}, keywords = {{Inorganic Chemistry, Physical and Theoretical Chemistry}}, number = {{5}}, pages = {{2856--2865}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO) 3]+/0}}}, doi = {{10.1021/acs.inorgchem.0c03259}}, volume = {{60}}, year = {{2021}}, } @article{41011, abstract = {{The controlled assembly of well-defined planar nanoclusters from molecular precursors is synthetically challenging and often plagued by the predominant formation of 3D-structures and nanoparticles. Herein, we report planar iron hydride nanoclusters from reactions of main group element hydrides with iron(II) bis(hexamethyldisilazide). The structures and properties of isolated Fe4, Fe6, and Fe7 nanoplatelets and calculated intermediates enable an unprecedented insight into the underlying building principle and growth mechanism of iron clusters, metal monolayers, and nanoparticles.}}, author = {{Chakraborty, Uttam and Bügel, Patrick and Fritsch, Lorena and Weigend, Florian and Bauer, Matthias and Jacobi von Wangelin, Axel}}, issn = {{2191-1363}}, journal = {{ChemistryOpen}}, keywords = {{General Chemistry}}, number = {{2}}, pages = {{265--271}}, publisher = {{Wiley}}, title = {{{Planar Iron Hydride Nanoclusters: Combined Spectroscopic and Theoretical Insights into Structures and Building Principles}}}, doi = {{10.1002/open.202000307}}, volume = {{10}}, year = {{2021}}, } @article{41326, author = {{Wojtaszek, Klaudia and Błachucki, Wojciech and Tyrała, Krzysztof and Nowakowski, Michał and Zaja̧c, Marcin and Stȩpień, Joanna and Jagodziński, Paweł and Banaś, Dariusz and Stańczyk, Wiktoria and Czapla-Masztafiak, Joanna and Kwiatek, Wojciech M. and Szlachetko, Jakub and Wach, Anna}}, issn = {{1089-5639}}, journal = {{The Journal of Physical Chemistry A}}, keywords = {{Physical and Theoretical Chemistry}}, number = {{1}}, pages = {{50--56}}, publisher = {{American Chemical Society (ACS)}}, title = {{{Determination of Crystal-Field Splitting Induced by Thermal Oxidation of Titanium}}}, doi = {{10.1021/acs.jpca.0c07955}}, volume = {{125}}, year = {{2021}}, }