Article
Chemistry, Inorganic & Nuclear
Christoph Gamer, Sriram Sundaresan, Luca M. Carrella, Eva Rentschler
Summary: In this study, 2-methylmercaptobenzohydroxamic acid (mmbHA) was successfully synthesized and used to form a copper(II) based double-decker and a discrete metallacrown (MC) system. Both compounds exhibit antiferromagnetic exchange coupling, and the ratio of the coupling constants is affected by the structural change.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Roman Franz, Balazs Szathmari, Clemens Bruhn, Zsolt Kelemen, Rudolf Pietschnig
Summary: A transient phosphenium cation embedded into a [3]ferrocenophane scaffold can form stable adducts or bond activation with various donors. In the absence of donors, dimerization of the phosphenium cation or P-C bond activation occurs. The activation of a P-P bond with ring expansion of the ansa-bridge is observed when using a specific donor.
INORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Malwina Gabryel-Skrodzka, Martyna Nowak, Anna Teubert, Renata Jastrzab
Summary: The activity of phosphate groups of phosphoethanolamine and pyrimidine nucleotides in the process of complexation metal ions in aqueous solution was studied. The results showed that at lower pH, copper(II) ions are only complexed by phosphate groups, while the endocyclic nitrogen atom of nucleotides interacts with the -NH3+ groups of phosphoethanolamine.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Mehdi Elsayed Moussa, Jana Schiller, Michael Seidl, Pavel A. Shelyganov, Manfred Scheer
Summary: Different organometallic-organic hybrid assemblies and polymeric structures were obtained through three-component reactions, depending on the N-donor linker used.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Physics, Applied
Dai Inoue, Toshiki Komatsu, Hideharu Niwa, Hiroaki Nitani, Hitoshi Abe, Yutaka Moritomo
Summary: This systematic study investigates the local structure of Fe2+ and Fe3+ in 11 solvents using EXAFS and XANES. The results show that both Fe2+ and Fe3+ are coordinated by six oxygen atoms of the ligand molecules, forming a FeL (6)-type complex in all solvents. XANES reveals noncentrosymmetric deformation of the [FeL (6)](3+) complex in several solvents. In protic solvents, the coordination number (n (C)) of the second nearest carbon around Fe3+ significantly depends on the ligand L.
JAPANESE JOURNAL OF APPLIED PHYSICS
(2022)
Review
Chemistry, Inorganic & Nuclear
Isabel Castro, M. Luisa Calatayud, Marta Orts-Arroyo, Nadia Marino, Giovanni De Munno, Francesc Lloret, Rafael Ruiz-Garcia, Miguel Julve
Summary: This review provides an overview of inverse coordination chemistry and magnetochemistry of copper(II) systems with oxalato and polypyrazole ligands. The synthesis, structure, reactivity, and magnetic properties of oxalato-centered copper(II)-polypyrazole inverse polynuclear complexes (IPCs) and multidimensional inverse coordination polymers (ICPs) are discussed. The study of these low-dimensional IPCs and ICPs reveals new magneto-structural correlations, ranging from di- to hexanuclear species and chain-like systems with ferro- or antiferromagnetic interactions, leading to high-dimensional sheet-like systems with chemoswitching magnetic behavior for biogenic amine sensing. Future research trends will focus on the design and synthesis of mixed oxalato-centered ICPs with polytriazoles as additional bridging ligands, referred to as inverse metal-organic frameworks (IMOFs), for magnetic sensing of volatile organic compounds (VOCs) of biological, environmental, or industrial interest. (C) 2022 Published by Elsevier B.V.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Chemistry, Multidisciplinary
Xue Wang, Meiwei Huang, Zhaoben Su, Libo Qian, Yong Guo, Qing-Yun Chen, Chengying Wu, Tao Lv, Qin Su, Qing Shen, Jie Ma
Summary: Due to the potential bioaccumulation and toxicity of PFOS, PFOA, and their derivatives, people have tried to substitute legacy fluorosurfactants with short-chain alternatives. While short-chain alternatives can reduce bioaccumulation, their surface activity is compromised. In this study, a series of fluoroether betaine surfactants were prepared and investigated for their surface activity and spreading property. The role of oxygen in surface activity was discussed, and it was found that the insertion of oxygen atoms into the fluorinated chain can increase hydrophobicity and enhance surface activity. The inclusion of oxygen also diversified the structure to bridge the gap in surface activity between short and long fluorosurfactants. Overall, this work provides fundamental knowledge for molecular design.
CHINESE CHEMICAL LETTERS
(2023)
Article
Chemistry, Analytical
Zixin Zhou, Wenting He, Hao Chao, Han Wang, Ping Su, Jiayi Song, Yi Yang
Summary: In this study, a specific hemin-based mimetic enzyme was synthesized by assembling zeolitic imidazolate framework-L (ZIF-L) and hemin. The obtained mimetic enzyme displayed enhanced peroxidase activity and resistance to severe conditions. It also served as a colorimetric sensor for uranium detection.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Physical
Florent Ducrozet, Emilie Brun, Hugues A. Girard, Jean-Charles Arnault, Cecile Sicard-Roselli
Summary: In this study, it was found that milled nanodiamonds (MNDs) in suspension can enhance the production of solvated electrons under irradiation, with a higher yield for hydrogenated MNDs (MND-H). Additionally, a surface-chemistry-dependent scavenging effect of hydroxyl radicals was highlighted for this type of nanodiamonds.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Inorganic & Nuclear
Zhi-Wei Huang, Shu-Wen An, Kong-Qiu Hu, Xiao-Bo Li, Zhi-Ni Bin, Zhi-Heng Zhou, Lei Mei, Zhi-Jun Guo, Wang-Suo Wu, Zhi-Fang Chai, Wei-Qun Shi
Summary: We obtained two actinide compounds by adjusting the ratio of components in the crystal growth process. By modulating the coordination microenvironment of uranyl, the actinide compounds showed significant differences in photocatalytic CO2 reduction performance. UCu2 exhibited excellent reactivity in photocatalytic CO2 reduction, with a CO generation rate of 481.6 μmol g(-1) h(-1). This study provides reference and support for the rational application of depleted uranium resources and the use of coordinated polymers in the field of photocatalytic CO2 reduction.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Mousumi Nayak, Deepak K. Joshi, Krishna Kumar, Anoop S. Singh, Vinod K. Tiwari, Subrato Bhattacharya
Summary: A cubane-like tetranuclear hydrosulfido complex of Cu(I), [Cu-4(SH)(4)(PPh3)(4)] (1) with unique sulfur-bridged cubanoid structure was synthesized for the first time, along with neutral hydrosulfide complexes. The catalytic activity of complex 1 in a click reaction was explored, demonstrating its efficiency in the regioselective synthesis of glycoconjugate triazoles.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Andres Alguacil, Franco Scalambra, Pablo Lorenzo-Luis, Adrian Puerta, Aday Gonzalez-Bakker, Zenaida Mendoza, Jose M. Padron, Antonio Romerosa
Summary: Compounds 1 and 2 were synthesized and characterized. They exhibited nanomolar GI(50) values against six human solid tumors. Further investigation revealed their effects on colony formation in SW1573 cells, the action mechanism in HeLa cells, and their interaction with the pBR322 DNA plasmid.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Alexander J. Bukvic, Vera Kesselring, Michael Aeschlimann, Martin Albrecht
Summary: Donor-flexible ligands can adapt their donating strength toward a metal center, and using a pincer ligand with donor-flexible arms, stable hydride and formate complexes were formed with platinum. This allowed for the investigation of hydride protonation and revealed a pre-equilibrium step prior to platinum hydride protonation. Understanding this step is important for designing catalytic cycles for hydrogen release and uptake.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Alex J. Plajer, Andrew D. Bond, Dominic S. Wright
Summary: Phosph(III)azanes with the heterocyclobutane P2N2 ring have been established as building blocks in main-group coordination and supramolecular compounds. The incorporation of electron-withdrawing groups and transition metal coordination to the ring P atoms can modulate proton acidity and anion binding constants. Chelation of metal atoms to the P atoms of certain compounds can significantly enhance anion binding constants, surpassing those of traditional organic receptors like squaramides and ureas.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Irene Regeni, Rituparno Chowdhury, Kai Terlinden, Shinnosuke Horiuchi, Julian J. J. Holstein, Sascha Feldmann, Guido H. H. Clever
Summary: This article introduces a strategy to engineer the stacking of diketopyrrolopyrrole (DPP) dyes based on non-statistical metallosupramolecular self-assembly. Different discrete assemblies can be formed by adding Pd(II) to the DPP backbone equipped with nitrogen-based donors, distinguished by the number of π-stacked chromophores. We obtained and systematically investigated a Pd3L6 three-ring, a heteroleptic Pd2L2L’2 ravel composed of two crossing DPPs (flanked by two carbazoles), and two unprecedented self-penetrated motifs (a Pd2L3 triple and a Pd2L4 quadruple stack). With increasing counts of stacked chromophores, UV/Vis absorptions red-shift and emission intensities decrease, except for compound Pd2L2L’2, which has an exceptional photoluminescence quantum yield of 51% explainable by an intra-assembly FRET process. The modular design and synthesis of soluble multi-chromophore building blocks offer potential for the preparation of nanodevices and materials with applications in sensing, photo-redox catalysis, and optics.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Jinzhao Li, Janardan Dagar, Oleksandra Shargaieva, Marion A. Flatken, Hans Kobler, Markus Fenske, Christof Schultz, Bert Stegemann, Justus Just, Daniel M. Tobbens, Antonio Abate, Rahim Munir, Eva Unger
Summary: Efficiency records for solution-processed solar cell devices incorporating metal-halide perovskite semiconductors continue to be broken, with the need for scalable process technology and optimized ink formulations highlighted for large-area prototypes. The study demonstrates the importance of rational insights into ink composition and process control for reproducible manufacturing of MHP-based devices. The addition of a limited amount of DMSO prevents the formation of an intermediate crystalline phase and promotes the formation of the desired perovskite phase, while excess DMSO content negatively impacts thin-film morphology.
ADVANCED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
Leif Haggman, Anders Cassel, Ingmar Persson
Summary: The present study investigates the solution and coordination chemistry of copper(II)-alkyl-N-iminodiacetate systems using various analytical techniques. Different alkyl-N-iminodiacetates were used to study their amphiphilic properties and chelating behaviors with copper(II) ions, showing different coordination characteristics.
JOURNAL OF SOLUTION CHEMISTRY
(2021)
Article
Chemistry, Physical
Ning Yuan, Arnar Gudmundsson, Karl P. J. Gustafson, Michael Oschmann, Cheuk-Wai Tai, Ingmar Persson, Xiaodong Zou, Oscar Verho, Eva G. Bajnoczi, Jan-E Backvall
Summary: By utilizing in situ X-ray absorption spectroscopy (XAS), researchers uncovered the deactivation mechanism of palladium catalyst in the cycloisomerization of acetylenic acids and developed an improved catalytic protocol that is less prone to deactivation.
Article
Chemistry, Physical
Dmitry Bocharov, Inga Pudza, Konstantin Klementiev, Matthias Krack, Alexei Kuzmin
Summary: In this study, ab initio molecular dynamics simulations were utilized to investigate the structural properties of wurtzite-type zinc oxide at high temperatures. The simulations were validated by experimental Zn K-edge extended X-ray absorption fine structure spectra and diffraction data. The pronounced anharmonicity of Zn-O bonding was observed above 600 K, and characteristic Einstein temperatures were calculated based on the mean-square relative displacements of Zn-O and Zn-Zn atom pairs.
Article
Engineering, Environmental
Dan B. Kleja, Jon Petter Gustafsson, Vadim Kessler, Ingmar Persson
Summary: The use of bismuth has been increasing in society, but its environmental behavior remains largely unknown. This study investigated the binding of bismuth(III) to organic soil material and found that it forms strong complexes with the soil organic matter. Additionally, the study demonstrated that natural organic matter can enhance the solubility of metallic bismuth.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Instruments & Instrumentation
Maik Kahnt, Konstantin Klementiev, Vahid Haghighat, Clemens Weninger, Tomas S. Plivelic, Ann E. Terry, Alexander Bjorling
Summary: The CoSAXS beamline at the MAX IV Laboratory is a modern multi-purpose coherent small-angle X-ray scattering instrument, designed to provide intense and optionally coherent illumination for coherent imaging and speckle contrast techniques. Experimental quantification of coherence properties in a SAXS instrument at a fourth-generation synchrotron light source was successfully achieved.
JOURNAL OF SYNCHROTRON RADIATION
(2021)
Article
Instruments & Instrumentation
Konstantin Klementiev, Hamed Tarawneh, Pedro Fernandes Tavares
Summary: This paper reports on experimental and computational studies of an in-vacuum wiggler installed on the first fourth-generation synchrotron MAX IV. The results show that wigglers are still appropriate for low-emittance synchrotrons, and propose a combination of parameters that can significantly smooth the spectrum.
JOURNAL OF SYNCHROTRON RADIATION
(2022)
Article
Physics, Condensed Matter
Alexei Kuzmin, Inga Pudza, Konstantin Klementiev
Summary: The Zn K-edge X-ray absorption spectroscopy is used to investigate the decomposition of zinc peroxide (ZnO2) to zinc oxide (ZnO). By analyzing the extended X-ray absorption fine structure (EXAFS) spectra, the phase composition of the oxide at different temperatures is identified. It is found that only ZnO2 phase exists below 180 degrees C, while only nanocrystalline ZnO phase occurs above 250 degrees C. The reverse Monte Carlo (RMC) simulations provide detailed structural information about the local environment of zinc atoms, and a significant increase in disorder is observed approaching the decomposition temperature.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2022)
Correction
Chemistry, Physical
Ning Yuan, Arnar Gudmundsson, Karl P. J. Gustafson, Michael Oschmann, Cheuk-Wai Tai, Ingmar Persson, Xiaodong Zou, Oscar Verho, Eprimeva G. Bajnoczi, Jan-E. Backvall
Article
Biochemistry & Molecular Biology
Issaka Garikoe, Boubie Guel, Ingmar Persson
Summary: This study investigates the arrangement of bisphenol A molecules in organoclays and their interactions with intercalated surfactants. The results show that bisphenol A is adsorbed between the alkyl chains of the surfactant in the interlayers of organoclays, leading to the expansion of the clay structure.
Article
Chemistry, Physical
Sabrina Maria Gericke, Jenny Rissler, Marie Bermeo, Harald Wallander, Hanna Karlsson, Linnea Kollberg, Mattia Scardamaglia, Robert Temperton, Suyun Zhu, Kajsa G. V. Sigfridsson Clauss, Christian Hulteberg, Andrey Shavorskiy, Lindsay Richard Merte, Maria Elise Messing, Johan Zetterberg, Sara Blomberg
Summary: Nickel-promoted molybdenum-based catalysts undergo oxidation-reduction reactions under high-pressure H-2 and elevated temperatures. The mixing of nickel and molybdenum lowers the reduction temperature of the oxide. The reduction process of the supported catalysts is more gradual compared to foils, indicating a strong interaction between the catalyst and the alumina support.
Article
Chemistry, Multidisciplinary
Henrik S. Jeppesen, Ida G. Nielsen, Jens Christian Kondrup, Justus Just, Nina Lock
Summary: There is growing interest in studying the atomic level formation of functional materials, such as through nucleation and growth or chemically induced phase transitions. In this study, a new and versatile setup called the LiquidReactionCell (LRC) was developed for in situ investigations of chemical reactions. The LRC, made of chemically inert and transparent borosilicate glass, can handle homogenous solutions and fine powder suspensions and be used to monitor chemically or light induced reactions. The results demonstrate that the LRC has the potential to cover a wide range of chemical reactions.
Article
Chemistry, Inorganic & Nuclear
Artem V. Matyskin, Burcak Ebin, Stefan Allard, Natallia Torapava, Lars Eriksson, Ingmar Persson, Paul L. Brown, Christian Ekberg
Summary: XRD measurements and direct-space ab initio modeling showed that RaCO3 is not isostructural with witherite and has highly disordered carbonate oxygens. The solubility of RaCO3 was found to be unexpectedly higher than that of witherite, supporting its disordered nature. EXAFS data revealed an ionic radius of Ra2+ of 1.55 Å. Radium is the only alkaline-earth metal that forms disordered crystals in its carbonate phase. Radium-226 carbonate was synthesized and characterized by XRPD and EXAFS techniques, revealing the formation of Ra(Ba)CO3 and Ba(Ra)CO3 phases, with Ra(Ba)CO3 showing highly disordered carbonate oxygens.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Alessandro Tofoni, Francesco Tavani, Ingmar Persson, Paola D'Angelo
Summary: Phosphorus K-edge XANES spectroscopy is commonly used for qualitative and quantitative analysis of phosphorus speciation. However, the data analysis is often qualitative and lacks quantitative structural and electronic information. In this study, we conducted a theoretical investigation and found that different coordination shells of phosphorus contribute to distinct features in the XANES spectra. We also provided a rationalization of the observed transitions in the spectra through density of states calculations. The results show excellent agreement with experimental data and enable accurate interpretation of the observed transitions.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Daniela Rusanova-Naydenova, Mylene Trublet, Wantana Klysubun, Chanakan Cholsuk, Dinu Iuga, Ray Dupree, Oleg N. Antzutkin, Ingmar Persson
Summary: Solid titanium phosphate materials are promising for wastewater treatment. Structural characterizations reveal complex structures and different titanium environments. The treatment with hydrochloric acid and water significantly affects the material structure.
DALTON TRANSACTIONS
(2022)