@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{41007,
  abstract     = {{Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new insights into the photophysics of bis(tridentate) iron(II) complexes. The [Fe(N^N^N)2]2+ pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with four mesoionic carbenes.}},
  author       = {{Dierks, Philipp and Kruse, Ayla and Bokareva, Olga S. and Al-Marri, Mohammed J. and Kalmbach, Jens and Baltrun, Marc and Neuba, Adam and Schoch, Roland and Hohloch, Stephan and Heinze, Katja and Seitz, Michael and Kühn, Oliver and Lochbrunner, Stefan and Bauer, Matthias}},
  issn         = {{1359-7345}},
  journal      = {{Chemical Communications}},
  keywords     = {{Materials Chemistry, Metals and Alloys, Surfaces, Coatings and Films, General Chemistry, Ceramics and Composite, Metallkomplexe, Optical and Magnetic Materials, Catalysis}},
  number       = {{54}},
  pages        = {{6640--6643}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes}}},
  doi          = {{10.1039/d1cc01716k}},
  volume       = {{57}},
  year         = {{2021}},
}

@article{18534,
  author       = {{Vukadinovic, Yannik and Burkhardt, Lukas and Päpcke, Ayla and Miletic, Anabel and Fritsch, Lorena and Altenburger, Björn and Schoch, Roland and Neuba, Adam and Lochbrunner, Stefan and Bauer, Matthias}},
  issn         = {{0020-1669}},
  journal      = {{Inorganic Chemistry}},
  pages        = {{8762--8774}},
  title        = {{{When Donors Turn into Acceptors: Ground and Excited State Properties of FeII Complexes with Amine-Substituted Tridentate Bis-imidazole-2-ylidene Pyridine Ligands}}},
  doi          = {{10.1021/acs.inorgchem.0c00393}},
  year         = {{2020}},
}

@article{41022,
  author       = {{Kirchhof, Manuel and Gugeler, Katrin and Fischer, Felix Richard and Nowakowski, Michał and Bauer, Alina and Alvarez-Barcia, Sonia and Abitaev, Karina and Schnierle, Marc and Qawasmi, Yaseen and Frey, Wolfgang and Baro, Angelika and Estes, Deven P. and Sottmann, Thomas and Ringenberg, Mark R. and Plietker, Bernd and Bauer, Matthias and Kästner, Johannes and Laschat, Sabine}},
  issn         = {{0276-7333}},
  journal      = {{Organometallics}},
  keywords     = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry}},
  number       = {{17}},
  pages        = {{3131--3145}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions}}},
  doi          = {{10.1021/acs.organomet.0c00310}},
  volume       = {{39}},
  year         = {{2020}},
}

@article{41015,
  author       = {{Benedikter, Mathis and Musso, Janis and Kesharwani, Manoj K. and Sterz, K. Leonard and Elser, Iris and Ziegler, Felix and Fischer, Felix and Plietker, Bernd and Frey, Wolfgang and Kästner, Johannes and Winkler, Mario and van Slageren, Joris and Nowakowski, Michał and Bauer, Matthias and Buchmeiser, Michael R.}},
  issn         = {{2155-5435}},
  journal      = {{ACS Catalysis}},
  keywords     = {{Catalysis, General Chemistry}},
  number       = {{24}},
  pages        = {{14810--14823}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Charge Distribution in Cationic Molybdenum Imido Alkylidene <i>N</i>-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach}}},
  doi          = {{10.1021/acscatal.0c03978}},
  volume       = {{10}},
  year         = {{2020}},
}

@article{41020,
  author       = {{Gregori, Bernhard J. and Nowakowski, Michał and Schoch, Anke and Pöllath, Simon and Zweck, Josef and Bauer, Matthias and Jacobi von Wangelin, Axel}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Catalysis}},
  number       = {{21}},
  pages        = {{5359--5363}},
  publisher    = {{Wiley}},
  title        = {{{Stereoselective Chromium‐Catalyzed Semi‐Hydrogenation of Alkynes}}},
  doi          = {{10.1002/cctc.202000994}},
  volume       = {{12}},
  year         = {{2020}},
}

@article{16311,
  author       = {{Burkhardt, Lukas and Vukadinovic, Yannik and Nowakowski, Michał and Kalinko, Aleksandr and Rudolph, Julian and Carlsson, Per-Anders and Jacob, Christoph R. and Bauer, Matthias}},
  issn         = {{0020-1669}},
  journal      = {{Inorganic Chemistry}},
  pages        = {{3551--3561}},
  title        = {{{Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-ray Emission and Absorption Spectroscopy}}},
  doi          = {{10.1021/acs.inorgchem.9b02092}},
  year         = {{2020}},
}

@phdthesis{41005,
  author       = {{Vukadinovic, Yannik}},
  title        = {{{N-heterocyclic carbene based iron and ruthenium photosensitizer with amine donors - A systematic study on spectroscopic differences}}},
  doi          = {{10.17619/UNIPB/1-1060}},
  year         = {{2020}},
}

@article{41018,
  author       = {{Dierks, Philipp and Päpcke, Ayla and Bokareva, Olga S. and Altenburger, Björn and Reuter, Thomas and Heinze, Katja and Kühn, Oliver and Lochbrunner, Stefan and Bauer, Matthias}},
  issn         = {{0020-1669}},
  journal      = {{Inorganic Chemistry}},
  keywords     = {{Inorganic Chemistry, Physical and Theoretical Chemistry}},
  number       = {{20}},
  pages        = {{14746--14761}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Ground- and Excited-State Properties of Iron(II) Complexes Linked to Organic Chromophores}}},
  doi          = {{10.1021/acs.inorgchem.0c02039}},
  volume       = {{59}},
  year         = {{2020}},
}

@article{41023,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Efficient oxygen evolution reaction (OER) electrocatalysts are pivotal for sustainable fuel production, where the Ni-Fe oxyhydroxide (OOH) is among the most active catalysts for alkaline OER. Electrolyte alkali metal cations have been shown to modify the activity and reaction intermediates, however, the exact mechanism is at question due to unexplained deviations from the cation size trend. Our X-ray absorption spectroelectrochemical results show that bigger cations shift the Ni<jats:sup>2+/(3+δ)+</jats:sup> redox peak and OER activity to lower potentials (however, with typical discrepancies), following the order CsOH &gt; NaOH ≈ KOH &gt; RbOH &gt; LiOH. Here, we find that the OER activity follows the variations in electrolyte pH rather than a specific cation, which accounts for differences both in basicity of the alkali hydroxides and other contributing anomalies. Our density functional theory-derived reactivity descriptors confirm that cations impose negligible effect on the Lewis acidity of Ni, Fe, and O lattice sites, thus strengthening the conclusions of an indirect pH effect.</jats:p>}},
  author       = {{Görlin, Mikaela and Halldin Stenlid, Joakim and Koroidov, Sergey and Wang, Hsin-Yi and Börner, Mia and Shipilin, Mikhail and Kalinko, Aleksandr and Murzin, Vadim and Safonova, Olga V. and Nachtegaal, Maarten and Uheida, Abdusalam and Dutta, Joydeep and Bauer, Matthias and Nilsson, Anders and Diaz-Morales, Oscar}},
  issn         = {{2041-1723}},
  journal      = {{Nature Communications}},
  keywords     = {{General Physics and Astronomy, General Biochemistry, Genetics and Molecular Biology, General Chemistry, Multidisciplinary}},
  number       = {{1}},
  publisher    = {{Springer Science and Business Media LLC}},
  title        = {{{Key activity descriptors of nickel-iron oxygen evolution electrocatalysts in the presence of alkali metal cations}}},
  doi          = {{10.1038/s41467-020-19729-2}},
  volume       = {{11}},
  year         = {{2020}},
}

@article{41024,
  author       = {{Gujt, Jure and Zimmer, Peter and Zysk, Frederik and Süß, Vicky and Felser, Claudia and Bauer, Matthias and Kühne, Thomas}},
  issn         = {{2329-7778}},
  journal      = {{Structural Dynamics}},
  keywords     = {{Spectroscopy, Condensed Matter Physics, Instrumentation, Radiation}},
  number       = {{3}},
  publisher    = {{AIP Publishing}},
  title        = {{{Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction}}},
  doi          = {{10.1063/4.0000008}},
  volume       = {{7}},
  year         = {{2020}},
}

@article{41027,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>Fluoride ion batteries (FIBs) are a recent alternative all-solid-state battery technology. However, the FIB systems proposed so far suffer from poor cycling performance. In this work, we report La<jats:sub>2</jats:sub>NiO<jats:sub>4.13</jats:sub> with a Ruddlesden-Popper type structure as an intercalation-based active cathode material in all solid-state FIB with excellent cycling performance. The critical charging conditions to maintain the conductivity of the cell were determined, which seems to be a major obstacle towards improving the cycling stability of FIBs. For optimized operating conditions, a cycle life of about 60 cycles and over 220 cycles for critical cut-off capacities of 50 mAh/g and 30 mAh/g, respectively, could be achieved, with average Coulombic efficiencies between 95 – 99%. Cycling of the cell is a result of fluorination/de-fluorination into and from the La<jats:sub>2</jats:sub>NiO<jats:sub>4+d</jats:sub> cathode, and it is revealed that La<jats:sub>2</jats:sub>NiO<jats:sub>4.13</jats:sub> is a multivalent electrode material. Our findings suggest that La<jats:sub>2</jats:sub>NiO<jats:sub>4.13</jats:sub> is a promising high energy cathode for FIBs.</jats:p>}},
  author       = {{Nowroozi, Mohammad Ali and Wissel, Kerstin and Donzelli, Manuel and Hosseinpourkahvaz, Niloofar and Plana-Ruiz, Sergi and Kolb, Ute and Schoch, Roland and Bauer, Matthias and Malik, Ali Muhammad and Rohrer, Jochen and Ivlev, Sergei and Kraus, Florian and Clemens, Oliver}},
  issn         = {{2662-4443}},
  journal      = {{Communications Materials}},
  keywords     = {{Mechanics of Materials, General Materials Science}},
  number       = {{1}},
  publisher    = {{Springer Science and Business Media LLC}},
  title        = {{{High cycle life all-solid-state fluoride ion battery with La<jats:sub>2</jats:sub>NiO<jats:sub>4+d</jats:sub> high voltage cathode}}},
  doi          = {{10.1038/s43246-020-0030-5}},
  volume       = {{1}},
  year         = {{2020}},
}

@article{41019,
  author       = {{Zobel, J. Patrick and Bokareva, Olga S. and Zimmer, Peter and Wölper, Christoph and Bauer, Matthias and González, Leticia}},
  issn         = {{0020-1669}},
  journal      = {{Inorganic Chemistry}},
  keywords     = {{Inorganic Chemistry, Physical and Theoretical Chemistry}},
  number       = {{20}},
  pages        = {{14666--14678}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer}}},
  doi          = {{10.1021/acs.inorgchem.0c02147}},
  volume       = {{59}},
  year         = {{2020}},
}

@article{41029,
  author       = {{Naumova, Maria A. and Kalinko, Aleksandr and Wong, Joanne W. L. and Abdellah, Mohamed and Geng, Huifang and Domenichini, Edoardo and Meng, Jie and Gutierrez, Sol Alvarez and Mante, Pierre-Adrien and Lin, Weihua and Zalden, Peter and Galler, Andreas and Lima, Frederico and Kubicek, Katharina and Biednov, Mykola and Britz, Alexander and Checchia, Stefano and Kabanova, Victoria and Wulff, Michael and Zimara, Jennifer and Schwarzer, Dirk and Demeshko, Serhiy and Murzin, Vadim and Gosztola, David and Jarenmark, Martin and Zhang, Jianxin and Bauer, Matthias and Lawson Daku, Max Latevi and Gawelda, Wojciech and Khakhulin, Dmitry and Bressler, Christian and Meyer, Franc and Zheng, Kaibo and Canton, Sophie E.}},
  issn         = {{1948-7185}},
  journal      = {{The Journal of Physical Chemistry Letters}},
  keywords     = {{General Materials Science, Physical and Theoretical Chemistry}},
  number       = {{6}},
  pages        = {{2133--2141}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Revealing Hot and Long-Lived Metastable Spin States in the Photoinduced Switching of Solvated Metallogrid Complexes with Femtosecond Optical and X-ray Spectroscopies}}},
  doi          = {{10.1021/acs.jpclett.9b03883}},
  volume       = {{11}},
  year         = {{2020}},
}

@article{41028,
  author       = {{Naumova, Maria A. and Kalinko, Aleksandr and Wong, Joanne W. L. and Alvarez Gutierrez, Sol and Meng, Jie and Liang, Mingli and Abdellah, Mohamed and Geng, Huifang and Lin, Weihua and Kubicek, Katharina and Biednov, Mykola and Lima, Frederico and Galler, Andreas and Zalden, Peter and Checchia, Stefano and Mante, Pierre-Adrien and Zimara, Jennifer and Schwarzer, Dirk and Demeshko, Serhiy and Murzin, Vadim and Gosztola, David and Jarenmark, Martin and Zhang, Jianxin and Bauer, Matthias and Lawson Daku, Max Latevi and Khakhulin, Dmitry and Gawelda, Wojciech and Bressler, Christian and Meyer, Franc and Zheng, Kaibo and Canton, Sophie E.}},
  issn         = {{0021-9606}},
  journal      = {{The Journal of Chemical Physics}},
  keywords     = {{Physical and Theoretical Chemistry, General Physics and Astronomy}},
  number       = {{21}},
  publisher    = {{AIP Publishing}},
  title        = {{{Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum}}},
  doi          = {{10.1063/1.5138641}},
  volume       = {{152}},
  year         = {{2020}},
}

@unpublished{40994,
  abstract     = {{Photoactive compounds are essential for photocatalytic and luminescent applications, such as photoredox catalysis or light emitting diodes. However, the substitution of noble metals, which are almost exclusively used, by base metals remains a major challenge on the way to a more sustainable world.1 Iron is a dream candidate for this ambitious aim.2 But compared to noble metal complexes that show long-lived metal-to-ligand charge-transfer (MLCT) states, realization of emissive and photoactive iron complexes is demanding, due to the fast deactivation of charge transfer states into non-emissive inactive states. No MLCT emission has been observed for monometallic iron complexes before. Consequently, dual emission could also not yet be realized with iron complexes, as it is a very rare property even of noble metal compounds. Here we report the Fe<jats:sup>III</jats:sup> complex [Fe(ImP)<jats:sub>2</jats:sub>][PF<jats:sub>6</jats:sub>] (HImP = 1,1’-(1,3-phenylene)bis(3-methyl-1-imidazol-2-ylidene)), showing Janus-type dual emission by combining LMCT (ligand-to-metal charge transfer) with MLCT luminescence. The respective excited states are characterized by a record lifetime of τ<jats:sub>MLCT</jats:sub> = 4.2 ns, and a moderate τ<jats:sub>LMCT</jats:sub> = 0.2 ns. Only two emissive Fe<jats:sup>III</jats:sup> compounds are known so far and they show LMCT luminescence only.3,4 The unique properties of the presented complex are caused by the specific ligand design combining four N-heterocyclic carbenes with two cyclometalating groups, using the σ-donor strength of six carbon atoms and the acceptor capabilities of the central phenyl rings. Spectroscopically, doublet manifolds could be identified in the deactivation process, while (TD)DFT analysis revealed the presence of quartets as well. With three key advancements of realizing the first iron complex showing dual luminescence, a MLCT luminescence and a world record MLCT lifetime, the results constitute a basis for future application of iron complexes as white light emitters and new photocatalytic reactions making use of the Janus-type properties of the developed complex.}},
  author       = {{Bauer, Matthias and Steube, Jakob and Päpcke, Ayla and Bokareva, Olga and Reuter, Thomas and Demeshko, Serhiy and Schoch, Roland and Hohloch, Stephan and Meyer, Franc and Heinze, Katja and Kühn, Oliver and Lochbrunner, Stefan}},
  publisher    = {{Research Square Platform LLC}},
  title        = {{{Janus-type dual emission of a Cyclometalated Iron(III) complex}}},
  year         = {{2020}},
}

@article{41025,
  abstract     = {{We investigate the structure-activity correlations of methanation catalysts obtained by thermal decomposition of a Ni-based metal-organic framework, using pair distribution function, X-ray absorption spectroscopy and X-ray diffraction.}},
  author       = {{Prinz, Nils and Schwensow, Leif and Strübbe, Sven and Jentys, Andreas and Bauer, Matthias and Kleist, Wolfgang and Zobel, Mirijam}},
  issn         = {{2040-3364}},
  journal      = {{Nanoscale}},
  keywords     = {{Xray, Catalysis}},
  number       = {{29}},
  pages        = {{15800--15813}},
  publisher    = {{Royal Society of Chemistry (RSC)}},
  title        = {{{Hard X-ray-based techniques for structural investigations of CO2 methanation catalysts prepared by MOF decomposition}}},
  doi          = {{10.1039/d0nr01750g}},
  volume       = {{12}},
  year         = {{2020}},
}

@article{21364,
  author       = {{Grauke, Reni and Schepper, Rahel and Rabeah, Jabor and Schoch, Roland and Bentrup, Ursula and Bauer, Matthias and Brückner, Angelika}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  pages        = {{1025--1035}},
  title        = {{{Impact of Al Activators on Structure and Catalytic Performance of Cr Catalysts in Homogeneous Ethylene Oligomerization – A Multitechnique            in situ/operando            Study}}},
  doi          = {{10.1002/cctc.201901441}},
  year         = {{2019}},
}

@article{16314,
  author       = {{Preiß, Sebastian and Päpcke, Ayla and Burkhardt, Lukas and Großmann, Luca and Lochbrunner, Stefan and Bauer, Matthias and Opatz, Till and Heinze, Katja}},
  issn         = {{0947-6539}},
  journal      = {{Chemistry – A European Journal}},
  pages        = {{5940--5949}},
  title        = {{{Gold(II) Porphyrins in Photoinduced Electron Transfer Reactions}}},
  doi          = {{10.1002/chem.201900050}},
  year         = {{2019}},
}

@article{16320,
  author       = {{Müller, Patrick and Neuba, Adam and Flörke, Ulrich and Henkel, Gerald and Kühne, Thomas D. and Bauer, Matthias}},
  issn         = {{1089-5639}},
  journal      = {{The Journal of Physical Chemistry A}},
  pages        = {{3575--3581}},
  title        = {{{Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes}}},
  doi          = {{10.1021/acs.jpca.9b00463}},
  year         = {{2019}},
}