Article
Chemistry, Physical
Paul Estevenon, Lucia Amidani, Stephen Bauters, Christelle Tamain, Michael Bodensteiner, Florian Meurer, Christoph Hennig, Gavin Vaughan, Thomas Dumas, Kristina O. Kvashnina
Summary: This study provides a comprehensive interpretation of X-ray measurements on Ce complexes and explores the formation of CeO2 nanoparticles from few Ce ions. The Ce clusters with growing size and nuclearity were synthesized and characterized, revealing consistent trends and changes in CeO2-like properties. The experimental observations were supported by theoretical simulations, extending the fundamental knowledge of Ce oxide nanomaterials.
CHEMISTRY OF MATERIALS
(2023)
Article
Instruments & Instrumentation
Thomas Dumas, Matthieu Virot, Denis Menut, Christelle Tamain, Cyril Micheau, Sandrine Dourdain, Olivier Diat
Summary: This study investigates the size and shape of a water-soluble hexanuclear plutonium cluster using the combination of SAXS and EXAFS. A specialized setup for radioactive samples is utilized, and the structure is analyzed and modeled based on the experimental results.
JOURNAL OF SYNCHROTRON RADIATION
(2022)
Article
Chemistry, Inorganic & Nuclear
Ying Zou, Wei Lv, Zhen-Zhen Xue, Jin-Hua Li, Xiao-Yu Li, Guo-Ming Wang
Summary: Highly symmetrical molecules with beautiful geometries are rare in Al-oxo clusters due to the fast hydrolysis of Al3+ ions. In this study, a ring-shaped nanoring [Al-12(CH3O)(24)(NAP)(12)]center dot 4DMF center dot 2H(2)O center dot 2CH(3)OH (Al-12, NAP(-) = 2-naphthoic acid) was synthesized, and by changing the reactive solvents, it can transform into a cage-like structure [Al-24(OH)(32)(CH3O)(22)(CH3OH)(2)(NAP)(12)]center dot 6Cl center dot 2H(2)O center dot 2CH(3)OH (Al-24). The Al-24 metallocage exhibits blue luminescence and photocurrent responses under LED light illumination.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Xi Fan, Shuai Chen, Lei Zhang, Jian Zhang
Summary: This study introduces silver clusters protected by metal-oxo modules, which exhibit enhanced stability and unique properties. It summarizes three different types of cluster protection methods and aims to provide possible guidance and insights for the future rational design of more metal-oxo clusters protected silver clusters or even other coinage metal nanoclusters.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Review
Chemistry, Inorganic & Nuclear
Qin-Yu Zhu, Jie Dai
Summary: Titanium oxo-clusters can serve as a molecular model of nano TiO2 for theoretical and experimental studies, and also function as single-source precursors for TiO materials. They show promising applications in solar energy harvesting, photoelectric sensing, and fluorescent displaying, offering new perspectives for advanced functional materials.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Inorganic & Nuclear
Jennifer Anders, Fabian Goeritz, Anselm Loges, Timm John, Beate Paulus
Summary: In this study, we performed density functional theory calculations on the oxo/fluoro crystals of zirconium and hafnium to compare their stabilities. The results showed that hafnium species have higher cohesive energies and affinity compared to zirconium species. This study also evaluated the difference in affinity between fluoride and hydroxide, and found a slight energetic preference for hafnium compounds.
Article
Chemistry, Inorganic & Nuclear
Camila Fontes Neves da Silva, Eduardo Tonon de Almeida, Sofia Nikolaou, Anamaria Dias Pereira Alexiou
Summary: This study systematically investigates the thermal decomposition and thermal stability of ten representative triruthenium clusters, showing that their thermal decomposition path and stability depend on the nature of ligands, with the metallic core collapsing upon acetates oxidation in the range from 270 to 300 degrees C.
Article
Chemistry, Multidisciplinary
Saurav Bhattacharya, Uttara Basu, Mohamed Haouas, Pei Su, Michael Forrester Espenship, Fei Wang, Albert Sole-Daura, Dereje H. Taffa, Michael Wark, Josep M. Poblet, Julia Laskin, Emmanuel Cadot, Ulrich Kortz
Summary: This paper reports the synthesis, structure, and characterization of neutral palladium-oxo clusters (POCs), specifically the Pd-16, Pd-16Cl, and Pd-24 compounds. These compounds exhibit novel chemical properties based on their different structural units. Comprehensive characterization of these compounds was conducted in the solid, solution, and gas phases.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Yu Zhu, Qiaohong Li, Dongsheng Li, Jian Zhang, Lei Zhang
Summary: The study successfully constructed the largest tin-oxo wheel to date, demonstrating the significant effects of organic ligands on its properties, which was confirmed through detailed theoretical calculations.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Jarich Haitjema, Lianjia Wu, Alexandre Giuliani, Laurent Nahon, Sonia Castellanos, Albert M. Brouwer
Summary: Photoresist materials are being optimized for EUV technology, with research focusing on the fundamental photoreactivity of organometallic compounds, particularly n-butyltin-oxo cage dications. It was found that tin-carbon bonds undergo homolytic cleavage under photon exposure, and the addition of counterions affects the photoionization threshold and fragmentation pathways. Different counterions lead to different reaction products during photoexcitation.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Inorganic & Nuclear
Asmita Sen, Azaj Ansari, Abinash Swain, Bhawana Pandey, Gopalan Rajaraman
Summary: Activation of C-H bonds using high-valent Mn/Fe-oxo(hydroxo) species is a challenge in chemistry. This study uses calculations to investigate the reactivity of these species towards the activation of dihydroanthracene. The results show that the H-bonding network in the ligand architecture influences the reactivity and explains puzzling trends observed in various high-valent Mn/Fe-oxo(hydroxo) species.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Yu Zhu, Zirui Wang, Dejing Li, Yin-Di Zhu, Qiao-Hong Li, Dong-Sheng Li, Lei Zhang
Summary: In this study, a silver-templated gamma-Keggin alkytin-oxo cluster was successfully synthesized for the first time, showing significant heavy atom effect and nonlinear optical response.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Inorganic & Nuclear
Jin Young Koo, Jongwon Oh, Gyeongeun Hyun, Hee Cheul Choi, Intek Song, Seok Min Yoon
Summary: A new oxo-bridged chromium-molybdenum heterometallic complex, O-CrMoHC, was synthesized by a solvothermal reaction. The complex exhibits anisotropic conductivity in single crystals, with higher electrical conductivity along the [01-1] direction compared to the [100] direction. This is the first report of anisotropic conductivity observed in a monomeric heterometallic complex single crystal.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Kai Sheng, Wei-Dan Si, Ran Wang, Wei-Zhe Wang, Jianmin Dou, Zhi-Yong Gao, Li-Kai Wang, Chen-Ho Tung, Di Sun
Summary: This study reports the synthesis of a novel Keggin-type Eu13 nanocluster through a solvothermal method and demonstrates the concept of assembling metallasilsesquioxanes. The Eu13 structure consists of a central EuO8 cube surrounded by 12 EuO7 monocapped trigonal prisms, making it the highest-nuclearity lanthanide-silsesquioxane nanocluster. The Eu13 nanocluster exhibits high stability and catalytic activity for CO2 cycloaddition reaction, as well as intense red luminescence upon visible light excitation, indicating its potential in optoelectric device applications.
CHEMISTRY OF MATERIALS
(2022)
Review
Materials Science, Ceramics
Ryohei Hayami, Takahiro Gunji
Summary: Phosphorus(V)-substituted titanium-oxo clusters consist of titanoxane, phosphatitanoxane, and various organic/inorganic groups. This study categorizes these clusters into four groups and provides a comprehensive review of their syntheses, properties, and applications.
JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Multidisciplinary
Daniel Podgornii, Francoise M. Amombo Noa, Jan van Leusen, Christine J. McKenzie, Lars Ohrstrom, Paul Koegerler, Svetlana G. Baca
Summary: A new series of heterometallic wheels were synthesized and characterized. These wheels consist of trinuclear mu(3)-oxo-linked or hexanuclear mu-OH-linked Fe(III) pivalate clusters and rare earth nitrates. The magnetic studies revealed antiferromagnetic exchange interactions within the Fe-3 trimeric unit, as well as ferromagnetic exchange interactions between the Fe(III) and Ln(III) centers when diamagnetic Y(III) is substituted by paramagnetic Ln(III).
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Marjan Hosseinzadeh, Sergio Sanz, Jan van Leusen, Natalya V. Izarova, Euan K. Brechin, Scott J. Dalgarno, Paul Koegerler
Summary: Phosphate ester bonds are stable in nature and can be isolated using a combination of phosphoryl and calix[4]arene moieties. In this study, hydrolyzed phosphoryl-calix[4]arene ligands were formed through Ln(III)-mediated P-OEt bond cleavage in L-PO. The resulting Ln(III) species were trapped as dimers, and the Dy derivative exhibited slow magnetization relaxation. This strategy can be further applied to create a broader range of hydrolyzed platforms that mimic nuclease enzymes.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Dumitru Stati, Jan van Leusen, Naushad Ahmed, Victor Ch Kravtsov, Paul Koegerler, Svetlana G. Baca
Summary: The coordination cluster compound [CoIII2DyIII4(OH)2- (ib)8(bdea)2(NO3)4(H2O)2]middot2MeCN (1) was synthesized by reacting cobalt(II) isobutyrate (ib) with Dy(NO3)3middot6H2O and N-butyldiethanolamine (H2bdea) in air. The {CoIII2DyIII4} core fragment consists of two {CoDy2(mu 3-OH)} triangles connected via mu-O and mu-carboxylate bridges, resulting in a flat zigzag metal scaffold.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Multidisciplinary
Fabian Faassen, Natalya Izarova, Jan van Leusen, Paul Koegerler
Summary: This article describes the synthesis and characterization of polyanions functionalized by both organo-arsonates and FeIII. The polyanions showed good solution stability and magnetic properties, as confirmed by experimental studies.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Inorganic & Nuclear
Natalya Izarova, Fabian Faassen, Paul Koegerler
Summary: This study discovered solution-stable tris(hydroxymethyl)aminomethane-functionalized Fe-III-containing polyoxotungstates, which exhibit an unusual anchoring mode of triol moieties, with one -NH2 and one -CH2OH group remaining accessible for post-functionalization or chemisorption. The redox-active compounds were isolated under unusually mild reaction conditions and characterized in the solid state and in aqueous solutions.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Physical
Mateusz Domanski, Jan van Leusen, Marvin Metzelaars, Paul Koegerler, Wojciech Grochala
Summary: By using quantum mechanical calculations, this study examines the magnetic (super)-exchange interactions in molecular coordination clusters containing fluoride-bridged late transition metals, lanthanides, and Ag(II). The results show that the presence of Ag(II) can significantly modify the magnetic properties of these systems, including the sign and strength of the coupling. Ag(II) acts as a spin super-polarizer and this feature could be utilized in spintronics and various molecular devices.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Mariana Darii, Jan van Leusen, Victor Ch. Kravtsov, Yurii Chumakov, Karl Kramer, Silvio Decurtins, Shi-Xia Liu, Paul Kogerler, Svetlana G. Baca
Summary: Ultrasound-assisted synthesis was used to prepare a new nonanuclear SMM, [Mn7Dy2O6(OH)(OMe)(2)(piv)(8)(dea)(2)(MeOH)(2)(H2O)(2)](NO3)& BULL;H2O, with a {Mn-6 (MnDy2)-Mn-III-Dy-IV (III)}(28+) core based on vertex-sharing double-cubane units.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Nanoscience & Nanotechnology
Taoufiq Ouaj, Leonard Kramme, Marvin Metzelaars, Jiahan Li, Kenji Watanabe, Takashi Taniguchi, James H. Edgar, Bernd Beschoten, Paul Koegerler, Christoph Stampfer
Summary: This work demonstrates the growth of hBN crystals using an iron flux and their potential for high-performance hBN-graphene devices. The crystals can be detached from the metal using hydrochloric acid, and they exhibit excellent quality for van der Waals heterostructures. The thickness of exfoliated hBN flakes does not correlate with their quality in high mobility graphene devices.
Article
Materials Science, Multidisciplinary
Claire Besson, Philipp Stegmann, Michael Schnee, Zeila Zanolli, Simona Achilli, Nils Wittemeier, Asmus Vierck, Robert Frielinghaus, Paul Koegerler, Janina Maultzsch, Pablo Ordejon, Claus M. Schneider, Alfred Hucht, Juergen Koenig, Carola Meyer
Summary: We demonstrate a concept of molecular-level spintronics by studying spin centers antiferromagnetically (AFM) coupled to result in a singlet ground state. By performing time-dependent quantum transport measurements, we observe distinct current transitions corresponding to the AFM states of individual molecular complexes grafted on a carbon nanotube. Our statistical analysis shows independent switching events for cobalt complexes and coherent superposition of AFM spin states for manganese complexes.
Article
Chemistry, Multidisciplinary
Mariana Darii, Annabel Mikosch, Jan van Leusen, Victor Ch Kravtsov, Elena G. Dvornina, Steliana T. Clapco, Alexandra Ciloci, Paul Koegerler, Svetlana G. Baca
Summary: This study reveals the surprising coordination characteristics of the polypyridyl ligand with Fe and Mn precursors. Single-crystal X-ray diffraction analysis confirms the coordination mode of the ligand. The magnetic properties of Fe-tpt and Mn-tpt compounds show dominant antiferromagnetic coupling. Furthermore, the Mn-tpt complexes exhibit efficient catalytic properties in the production of enzymes by microorganisms.
Article
Chemistry, Multidisciplinary
Mariana Darii, Ecaterina S. Beleaev, Victor Ch. Kravtsov, Paulina Bourosh, Yurii Chumakov, Jurg Hauser, Silvio Decurtins, Shi-Xia Liu, Olga Sultanova, Svetlana G. Baca
Summary: A series of multicomponent compounds containing [Co(NH3)(6)](3+) cations and various organic donors have been synthesized and crystallized. The [Co(NH3)(6)](3+) cation serves as a building block for the formation of multi-component compounds with extended charge-supported networks and various interactions. Compound 1, consisting of hexaammine cobalt(III) chloride and 1,10-phenanthroline, showed the highest inhibitory potential against bacterial cancer in plants.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Vaibhav Bedi, Dipendu Mandal, Zahid Hussain, Shi-Ming Chen, Yile Wu, Zheng-Wang Qu, Stefan Grimme, Douglas W. Stephan
Summary: The reaction of (tBuO(2)CN)(2) with 9-BBN leads to the formation of a bicyclic heterocyclic compound, while its reactions with BF3 or [Et3Si][B(C6F5)(4)] result in the isolation of different compounds. Computational studies reveal that the steric and electronic properties of the Lewis acid are important in the formation of one of the compounds.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chisa Itoh, Haruka Yoshino, Taku Kitayama, Wataru Kosaka, Hitoshi Miyasaka
Summary: A new synthetic route for constructing functional paddlewheel diruthenium(II,II) complexes was developed, utilizing Schiff base condensation reactions. The attached Schiff base groups significantly affected the electronic states of the resulting complexes, as revealed by cyclic voltammetry and DFT calculations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Danrui Ni, Haozhe Wang, Xianghan Xu, Weiwei Xie, Robert J. Cava
Summary: A layered rhombohedral polymorph of indium(iii) triiodide is synthesized at high pressure and temperature. It has an orange color, which is different from ambient pressure InI3, which has a monoclinic molecular structure and a light-yellow color.
DALTON TRANSACTIONS
(2024)
Review
Chemistry, Inorganic & Nuclear
Juan Carlos Perez-Sanchez, Raquel P. Herrera, M. Concepcion Gimeno
Summary: Gold(II) complexes have been less utilized in catalysis compared to their gold(I) and gold(III) counterparts. However, gold(II) complexes offer potential in homo-coupling and cross-coupling reactions, as they are more easily accessible through simplified oxidation and reduction processes. Gold(II) exhibits characteristics of both soft acid gold(I) and hard acid gold(III). This review explores the unique reactivity and potential applications of gold(II) species, highlighting their significance in catalytic transformations.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Nighat Yousuf, Yanping Ma, Qaiser Mahmood, Wenjuan Zhang, Yizhou Wang, Hassan Saeed, Wen-Hua Sun
Summary: In this study, a series of structurally rigid cyclooctyl-fused iminopyridine iron complexes were synthesized and used with methylaluminoxane for isoprene polymerization. The extent of steric hindrance of the ligand framework was found to significantly affect catalytic performance, with less hindrance leading to better activity and stability.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Chenghao Song, Huiwei Du, Menglei Xu, Jie Yang, Xinyu Zhang, Jungan Wang, Yuanfang Zhang, Chengjun Gu, Rui Li, Tao Hong, Jingji Zhang, Jiangying Wang, Yongchun Ye
Summary: This study improves the performance of perovskite solar cells by using a dual-hole transport layer strategy. This strategy enhances the charge transfer efficiency of the transport layer, reduces charge recombination, and improves the quality of the perovskite film layer. Ultimately, the stability of the device is enhanced.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mahender Singh, Aakash Yadav, Ranjit Singh, Chullikkattil P. Pradeep
Summary: A new aryl selenonium polyoxometalate hybrid was developed and compared with an aryl sulfonium polyoxometalate hybrid in terms of their photocatalytic properties. It was found that the aryl selenonium hybrid exhibited better catalytic performance, which could be attributed to the larger atomic radii of selenium stabilizing the photogenerated electron-hole pair more efficiently. Additionally, the generation of elemental selenium through cleavage of C-Se bonds during catalysis was observed.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Yuhan Xie, Boyu Dong, Xuemin Wang, Siyuan Wang, Jinxi Chen, Yongbing Lou
Summary: This study successfully fabricated visible-light-responsive three-dimensional core-shell CoSe2/ZnIn2S4 heterostructures and achieved attractive activity in photocatalytic hydrogen evolution. The presence of CoSe2 improved light absorption and accelerated charge transfer kinetics. The strong interaction between CoSe2 and ZnIn2S4 reduced charge recombination, further enhancing photocatalytic activity for hydrogen evolution.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Andre L. de O. Batista, Joao Marcos T. Palheta, Mauricio J. Piotrowski, Celso R. C. Rego, Diego Guedes-Sobrinho, Alexandre C. Dias
Summary: This study presents a simulation protocol that provides a solid foundation for exploring two-dimensional materials. Using the TiBr2 2H monolayer as an example, the study reveals its promising properties for optoelectronic and valleytronic applications, including its stability, spin-orbit coupling effects, and optical helicity selection rule.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Jiang Jiang, Zi-Wei Li, Zhi-Zhuan Zhang, Bin Tan, Zhao-Feng Wu, Xiao-Ying Huang
Summary: In this work, two metal organic frameworks (MOFs) containing {Cu2I2} clusters, Eu-CuI-INA and Sr-K-CuI-INA, were synthesized and characterized. Both materials have a three-dimensional structure with {Cu2I2} clusters coordinated by INA(-) ligands and Eu3+ or Sr2+ ions. The Sr-K-CuI-INA material exhibited sensitive fluorescence sensing behaviors towards cysteine and nitro-bearing molecules, showing potential applications in bio and explosive molecule sensing. This work provides a good reference for designing fluorescent MOF probes containing CuI molecules.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Zhiya Lin, Jiasheng Wu, Qianwen Ye, Yulong Chen, Hai Jia, Xiaohui Huang, Shaoming Ying
Summary: Na-ion batteries (NIBs) have attracted great interest as a potential technology for grid-scale energy storage due to the wide distribution, low cost, and environmental friendliness of sodium resources. However, their implementation is hindered by low rate capability and cycling stability caused by the large ionic size of Na+. In this study, a three-dimensional nanoarchitectured coral-like CoSe2@N-doped carbon (CL-CoSe2@NC) was synthesized, and it exhibited improved sodium storage properties with better electrode kinetics and a stable SEI film.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Ya-Qiong Zhang, Yu Zhang, Guoping Zeng, Rong-Zhen Liao, Man Li
Summary: The mechanism and selectivity of CO2 reduction under visible light were investigated using density functional calculations. The results showed that a tetradentate PNNP-type Iridium(III) complex exhibited high activity and selectivity in the reaction.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Sanyukta Ghosh, Shubhanth Jain, Soumya Ranjan Mishra, Gerda Rogl, Peter Rogl, Ernst Bauer, B. S. Murty, A. Govindaraj, Ramesh Chandra Mallik
Summary: In this study, reduced graphene oxide (rGO) was uniformly dispersed in the In0.5Co4Sb12 bulk material by ultrasonication, which effectively reduced the lattice thermal conductivity and improved the thermoelectric efficiency.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Mika Takeuchi, Yutaka Amao
Summary: This study developed an effective visible-light driven system for fumaric acid production using renewable resources such as biomass derivatives, providing an alternative to the current petroleum-based synthesis methods.
DALTON TRANSACTIONS
(2024)
Article
Chemistry, Inorganic & Nuclear
Juan Jian, Meiting Wang, Zhuo Wang, Jingwen Meng, Yuqin Yang, Limin Chang
Summary: Developing low-cost and self-supported bifunctional catalysts is crucial for highly efficient water splitting devices. In this study, nano-NiFe2O4 was directly grown onto iron foil surface and Sn4+ was introduced into the NiFe2O4. The resulting Sn-NiFe2O4/IF showed low overpotentials and high current densities during oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), making it a promising catalyst for large-scale hydrogen production.
DALTON TRANSACTIONS
(2024)
