@article{63675,
  abstract     = {{Cobalt spinel (Co3O4) catalysts are widely studied in scope of the electrocatalytic oxygen evolution reaction (OER), yet the role of interfacial structural transformation under anodic bias remains under debate. Here, we employ an operando approach, combining a fast electrochemical quartz crystal microbalance with dissipation monitoring (EQCM-D), electrochemical impedance spectroscopy (EIS), and Raman spectroscopy to investigate interfacial transformations of Co3O4 nanoparticle electrodes in alkaline electrolyte. We identify two distinct regimes during the anodic sweep prior to the macroscopic OER onset. At lower potentials, the catalyst interface remains mechanically rigid while reversibly associating several OH−/H2O species per oxidized cobalt site. At higher potentials, pronounced softening of the interface occurs alongside further uptake of electrolyte species. This indicates amorphization and a ‘swelling process’ beyond simple adsorption. Notably, an electrochemical conditioning treatment can suppress mass and compliance hysteresis without affecting OER activity, suggesting that most incorporated electrolyte species do not participate in the OER. EIS further reveals that OER intermediates form well below the apparent OER onset potential. These results advance our mechanistic understanding of interfacial transformations in cobalt-based OER catalysts and establish EQCM-D as a sensitive operando technique for probing electrocatalyst transformations.}},
  author       = {{Leppin, Christian and Placke‐Yan, Carsten and Bendt, Georg and Hernandez, Sheila and Tschulik, Kristina and Schulz, Stephan and Linnemann, Julia}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{electrocatalysis, Co3O4, EQCM-D, OER}},
  number       = {{2}},
  publisher    = {{Wiley}},
  title        = {{{Interfacial Softening and Electrolyte Uptake in Co<sub>3</sub>O<sub>4</sub> OER Catalysts: Insight from <i>Operando</i> Spectroscopy and Fast EQCM‐D}}},
  doi          = {{10.1002/cctc.202501104}},
  volume       = {{18}},
  year         = {{2026}},
}

@article{64062,
  abstract     = {{Abstract Novel SBA-15-supported heterogeneous catalysts are synthesized and applied in the Mizoroki?Heck and the Suzuki?Miyaura cross-coupling reactions in green solvents like PEG or water. The structural properties of the products after each synthesis step are monitored by different analytics. The amount of amine/carboxyl groups and vanillin/histidine methyl ester and thermal stability are determined by TGA and elemental analysis, while ICP-OES delivered the amount of palladium of the catalysts. The morphology is investigated by SEM and XPS and confirms the presence of coordinated palladium in the zero-oxidation state. Gas adsorption analysis is conducted, which indicates the presence of palladium clusters in one of the two catalysts, which is underlined by BSE images combined with EDX. A detailed 13C ssNMR and DNP-enhanced 15N ssNMR spectral analysis is presented, which provides ultimate proof of the successful syntheses of the catalysts. The coordination of the palladium onto the carrier material is shown by combining the NMR spectral results with the results of the other analytics. First catalytic tests show for the Mizoroki?Heck reaction yields up to nearly 100% and for the Suzuki-Miyaura up to 88% in the presence of PEG and water, respectively.}},
  author       = {{Wissel, Till and Rösler, Lorenz and Brodrecht, Martin and Höfler, Mark V. and Herr, Kevin and Oliveira Jr., Marcos and Klimavicius, Vytautas and Ebert, Martin and Breitzke, Hergen and Hoffmann, Markus and Buntkowsky, Gerd and Gutmann, Torsten}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{SBA-15, Heterogeneous catalyst, Pd cross-coupling, Polyethylene glycol, Solid-state DNP NMR}},
  pages        = {{e202401511}},
  publisher    = {{John Wiley & Sons, Ltd}},
  title        = {{{Novel Heterogeneous Pd Catalysts for Cross-Coupling Reactions in Biocompatible Media: Structural Insights from Solid-State NMR Techniques}}},
  doi          = {{10.1002/cctc.202401511}},
  volume       = {{17}},
  year         = {{2024}},
}

@article{63970,
  abstract     = {{Abstract Recent advances in solid-state nuclear magnetic resonance (NMR) spectroscopy, combined with dynamic nuclear polarization (DNP), quantum chemical DFT calculations, and gas-phase NMR spectroscopy investigating the structure and reactivity of heterogeneous catalysts are reviewed. The investigated catalysts range from classical mononuclear catalysts, like immobilized derivates of Wilkinson’s catalysts over binuclear catalysts such as the dirhodium paddlewheel catalyst to catalytic nanoparticles, employing various support materials, such as mesoporous silica gels, coordination polymers, and biomaterials such as cellulose.}},
  author       = {{Haro Mares, Nadia and Logrado, Millena and Kergassner, Jan and Zhang, Bingyu and Gutmann, Torsten and Buntkowsky, Gerd}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{solid-state nmr, heterogeneous catalysis, dynamic nuclear polarization, Nanocatalysis, Surface-reactions}},
  pages        = {{e202401159}},
  publisher    = {{John Wiley & Sons, Ltd}},
  title        = {{{Solid-State NMR of Heterogeneous Catalysts}}},
  doi          = {{10.1002/cctc.202401159}},
  year         = {{2024}},
}

@article{52344,
  abstract     = {{Macrocyclization reactions are still challenging due to competing oligomerization, which requires the use of small substrate concentrations. Here, the cationic tungsten imido and tungsten oxo alkylidene N-heterocyclic carbene complexes [[W(N-2,6-Cl2-C6H3)(CHCMe2Ph(OC6F5)(pivalonitrile)(IMes)+ B(ArF)4−] (W1) and [W(O)(CHCMe2Ph(OCMe(CF3)2)(IMes)(CH3CN)+ B(ArF)4−] (W2) (IMes=1,3-dimesitylimidazol-2-ylidene; B(ArF)4−=tetrakis(3,5-bis(trifluoromethyl)phenyl borate) have been immobilized inside the pores of ordered mesoporous silica (OMS) with pore diameters of 3.3 and 6.8 nm, respectively, using a pore-selective immobilization protocol. X-ray absorption spectroscopy of W1@OMS showed that even though the catalyst structure is contracted due to confinement by the mesopores, both the oxidation state and structure of the catalyst stayed intact upon immobilization. Catalytic testing with four differently sized α,ω-dienes revealed a dramatically increased macrocyclization (MC) and Z-selectivity of the supported catalysts compared to the homogenous progenitors, allowing high substrate concentrations of 25 mM. With the supported complexes, a maximum increase in MC-selectivity from 27 to 81 % and in Z-selectivity from 17 to 34 % was achieved. In general, smaller mesopores exhibited a stronger confinement effect. A comparison of the two supported tungsten-based catalysts showed that W1@OMS possesses a higher MC-selectivity, while W2@OMS exhibits a higher Z-selectivity which can be rationalized by the structures of the catalysts.}},
  author       = {{Ziegler, Felix and Bruckner, Johanna R. and Nowakowski, Michał and Bauer, Matthias and Probst, Patrick and Atwi, Boshra and Buchmeiser, Michael R.}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Catalysis}},
  number       = {{21}},
  publisher    = {{Wiley}},
  title        = {{{Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene <i>N</i>‐Heterocyclic Carbene Complexes}}},
  doi          = {{10.1002/cctc.202300871}},
  volume       = {{15}},
  year         = {{2023}},
}

@article{62096,
  abstract     = {{<jats:title>Abstract</jats:title><jats:p>The biocatalytic kinetic resolution of cyclic carbonates derived from glycerol is reported. A selection of 26 esterases and lipases was tested for the asymmetric hydrolysis of the model substrate (epichlorohydrin carbonate) in aqueous medium. Among them, Pig Liver Esterase and Novozym® 435 showed the best selectivity with <jats:italic>E</jats:italic>=38 and 49, respectively. Both enzymes were employed for the conversion of 12 glycerol derivatives under optimized conditions. The resolution of halogenated carbonates afforded the unconverted enantiomer in up to &gt;99 : 1 <jats:italic>er</jats:italic>. Furthermore, Novozym® 435 was successfully recycled 10 times without significant loss of activity. Upscaling and isolation of the chiral carbonate was also demonstrated. Subsequent conversion of this chiral building block allowed the direct one‐pot synthesis of (<jats:italic>S</jats:italic>)‐Guaifenesin, (<jats:italic>S</jats:italic>)‐Mephenesin and (<jats:italic>S</jats:italic>)‐Chlorphenesin in up to 89 % yield and 94 : 6 <jats:italic>er</jats:italic>.</jats:p>}},
  author       = {{Terazzi, Constanza and Spannenberg, Anke and von Langermann, Jan and Werner, Thomas}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{T1, T4, CSSD}},
  number       = {{19}},
  publisher    = {{Wiley}},
  title        = {{{Chemoenzymatic Synthesis of Chiral Building Blocks Based on the Kinetic Resolution of Glycerol‐Derived Cyclic Carbonates}}},
  doi          = {{10.1002/cctc.202300917}},
  volume       = {{15}},
  year         = {{2023}},
}

@article{40988,
  abstract     = {{Increasing the metal-to-ligand charge transfer (MLCT) excited state lifetime of polypyridine iron(II) complexes can be achieved by lowering the ligand's π* orbital energy and by increasing the ligand field splitting. In the homo- and heteroleptic complexes [Fe(cpmp)2]2+ (12+) and [Fe(cpmp)(ddpd)]2+ (22+) with the tridentate ligands 6,2’’-carboxypyridyl-2,2’-methylamine-pyridyl-pyridine (cpmp) and N,N’-dimethyl-N,N’-di-pyridin-2-ylpyridine-2,6-diamine (ddpd) two or one dipyridyl ketone moieties provide low energy π* acceptor orbitals. A good metal-ligand orbital overlap to increase the ligand field splitting is achieved by optimizing the octahedricity through CO and NMe units between the coordinating pyridines which enable the formation of six-membered chelate rings. The push-pull ligand cpmp provides intra-ligand and ligand-to-ligand charge transfer (ILCT, LL'CT) excited states in addition to MLCT excited states. Ground and excited state properties of 12+ and 22+ were accessed by X-ray diffraction analyses, resonance Raman spectroscopy, (spectro)electrochemistry, EPR spectroscopy, X-ray emission spectroscopy, static and time-resolved IR and UV/Vis/NIR absorption spectroscopy as well as quantum chemical calculations.}},
  author       = {{Weber, Sebastian and Zimmermann, Ronny T. and Bremer, Jens and Abel, Ken L. and Poppitz, David and Prinz, Nils and Ilsemann, Jan and Wendholt, Sven and Yang, Qingxin and Pashminehazar, Reihaneh and Monaco, Federico and Cloetens, Peter and Huang, Xiaohui and Kübel, Christian and Kondratenko, Evgenii and Bauer, Matthias and Bäumer, Marcus and Zobel, Mirijam and Gläser, Roger and Sundmacher, Kai and Sheppard, Thomas L.}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Catalysis}},
  number       = {{8}},
  publisher    = {{Wiley}},
  title        = {{{Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al2O3 Reference Catalyst for CO2 Methanation}}},
  doi          = {{10.1002/cctc.202101878}},
  volume       = {{14}},
  year         = {{2022}},
}

@article{41208,
  author       = {{Weber, Sebastian and Zimmermann, Ronny T. and Bremer, Jens and Abel, Ken L. and Poppitz, David and Prinz, Nils and Ilsemann, Jan and Strübbe, Sven and Yang, Qingxin and Pashminehazar, Reihaneh and Monaco, Federico and Cloetens, Peter and Huang, Xiaohui and Kübel, Christian and Kondratenko, Evgenii and Bauer, Matthias and Bäumer, Marcus and Zobel, Mirijam and Gläser, Roger and Sundmacher, Kai and Sheppard, Thomas L.}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Catalysis}},
  number       = {{8}},
  publisher    = {{Wiley}},
  title        = {{{Digitization in Catalysis Research: Towards a Holistic Description of a Ni/Al<sub>2</sub>O<sub>3</sub>Reference Catalyst for CO<sub>2</sub>Methanation}}},
  doi          = {{10.1002/cctc.202101878}},
  volume       = {{14}},
  year         = {{2022}},
}

@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{41329,
  author       = {{Gregori, Bernhard J. and Nowakowski, Michal 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{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{37985,
  author       = {{Diebler, Johannes and Spannenberg, Anke and Werner, Thomas}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{CSSD}},
  number       = {{12}},
  pages        = {{2027--2030}},
  publisher    = {{Wiley}},
  title        = {{{Regio- and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent-Free Conditions}}},
  doi          = {{10.1002/cctc.201600242}},
  volume       = {{8}},
  year         = {{2016}},
}

@article{37998,
  author       = {{Büttner, Hendrik and Lau, Kornelia and Spannenberg, Anke and Werner, Thomas}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{T1, CSSD}},
  number       = {{3}},
  pages        = {{459--467}},
  publisher    = {{Wiley}},
  title        = {{{Bifunctional One-Component Catalysts for the Addition of Carbon Dioxide to Epoxides}}},
  doi          = {{10.1002/cctc.201402816}},
  volume       = {{7}},
  year         = {{2015}},
}

@article{41057,
  author       = {{Dehe, Daniel and Wang, Lei and Müller, Melanie K. and Dörr, Gunder and Zhou, Zhou and Klupp-Taylor, Robin N. and Sun, Yu and Ernst, Stefan and Hartmann, Martin and Bauer, Matthias and Thiel, Werner R.}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Catalysis}},
  number       = {{1}},
  pages        = {{127--136}},
  publisher    = {{Wiley}},
  title        = {{{A Rhodium Triphenylphosphine Catalyst for Alkene Hydrogenation Supported on Neat Superparamagnetic Iron Oxide Nanoparticles}}},
  doi          = {{10.1002/cctc.201402615}},
  volume       = {{7}},
  year         = {{2014}},
}

@article{37999,
  author       = {{Werner, Thomas and Tenhumberg, Nils and Büttner, Hendrik}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{T1, CSSD}},
  number       = {{12}},
  pages        = {{3493--3500}},
  publisher    = {{Wiley}},
  title        = {{{Hydroxyl-Functionalized Imidazoles: Highly Active Additives for the Potassium Iodide-Catalyzed Synthesis of 1,3-Dioxolan-2-one Derivatives from Epoxides and Carbon Dioxide}}},
  doi          = {{10.1002/cctc.201402572}},
  volume       = {{6}},
  year         = {{2014}},
}

@article{41254,
  author       = {{Welther, Alice and Bauer, Matthias and Mayer, Matthias and Jacobi von Wangelin, Axel}},
  issn         = {{1867-3880}},
  journal      = {{ChemCatChem}},
  keywords     = {{Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Catalysis}},
  number       = {{8}},
  pages        = {{1088--1093}},
  publisher    = {{Wiley}},
  title        = {{{Iron(0) Particles: Catalytic Hydrogenations and Spectroscopic Studies}}},
  doi          = {{10.1002/cctc.201100400}},
  volume       = {{4}},
  year         = {{2012}},
}