Article
Chemistry, Inorganic & Nuclear
Jordan De Jesus Silva, Margherita Pucino, Feng Zhai, Deni Mance, Zachariah J. Berkson, Darryl F. Nater, Amir H. Hoveyda, Christophe Coperet, Richard R. Schrock
Summary: In this study, the catalytic performances of molybdenum oxo alkylidene species with different anionic O ligands were evaluated in metathesis reactions of internal and terminal olefins. It was found that the presence of the ORF9 ligand significantly increased catalytic activity, particularly in the molecular form. In contrast, molecular complexes with large aryloxy anionic ligands showed little activity, while their silica-supported counterparts exhibited improved activity.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Xia-Xing Sun, Juan Du, Jie-Jie Tan, Shu-Zhong Zhan
Summary: Binuclear oxo-bridged iron complexes have potential applications in biological processes, catalysts, and magnetic materials. A novel mono-oxo-bridged binuclear iron(iii) complex was designed and provided in this study. The structure, magnetic properties, and electrochemical behavior of the complex were investigated.
NEW JOURNAL OF CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Zhuang-Hua Liu, Ran-Qi Chen, San-Tai Wang, Ya-Jie Liu, Wei-Hui Fang, Jian Zhang
Summary: The currently largest catecholato-based aluminum oxo clusters were synthesized and high nuclearity AlOCs were successfully achieved by adjusting the amount of auxiliary ligands. New compounds were obtained using imidazole ligands. The compounds exhibit manifest reverse saturation absorption response.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Darryl F. Nater, Christoph J. Kaul, Lukas Laetsch, Hayato Tsurugi, Kazushi Mashima, Christophe Coperet
Summary: Tailored molybdenum (VI)-oxo complexes can catalyze olefin metathesis reaction under specific conditions, and the structural, spectroscopic and electronic characteristics of the catalyst precursor have an influence on the initiation and catalytic efficiency of the final product.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Guoping Yang, Yufeng Liu, Xiaoling Lin, Bangming Ming, Ke Li, Changwen Hu
Summary: A new metal-oxo-clusters-based inorganic framework NaCoMo has been synthesized, which has a stable structure and exhibits excellent catalytic activity in the synthesis of pyrazoles.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Physical
Mariana B. M. S. Martins, Gabriela A. Correa, Tania Moniz, Craig J. Medforth, Baltazar de Castro, Susana L. H. Rebelo
Summary: Binary porphyrin materials with oppositely charged Fe(III) and Mn(III) porphyrins have been prepared and tested as biomimetic models of catalase. The heterometallic material [Mn/Fe] showed the highest catalytic activity for H2O2 dismutation reaction, and an enhancement in activity of one to two orders of magnitude compared to individual porphyrins.
JOURNAL OF CATALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Abhishikta Chatterjee, Papri Mondal, Priyanka Chakraborty, Bidyapati Kumar, Sourav Mandal, Corrado Rizzoli, Rajat Saha, Bibhutosh Adhikary, Subrata K. Dey
Summary: In this research, highly efficient heterogeneous bifunctional electrocatalysts have been designed through Fe coordination complexes, which modify the Fe centre for the electrolysis of H2O. By replacing -Cl- with -SO42-, the modified complex exhibits superior bifunctional activity with low overpotential and small Tafel slope. Additionally, it also demonstrates high-performance alkaline electrolyzer and remarkable stability. Therefore, exploring the intrinsic properties of metal-organic framework-based ECs provides a new approach for the rational design of molecular catalysts.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Multidisciplinary
Chen Wang, Tan Su, Hong-Ying Zang, Zhong-Min Su
Summary: Polyoxometalates (POMs) are metal oxides with unique structures and properties, particularly polyoxomolybdates. Chemists have utilized various synthetic methods and raw materials to construct diverse complex architectures based on Mo-based building blocks. This review summarizes and discusses the synthetic methods, structural evolution, and potential applications of molybdenum clusters, along with providing outlooks on their development and evolution. Our perspectives aim to offer valuable advice for future advancements in molybdenum clusters.
MATERIALS CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Yan-Fang Wu, Zhao-Bo Hu, Lixia Quan, Leina Jing, Jinlei Zhang, Zilu Chen
Summary: The study shows that by adjusting Na(I) ions, the topologies of the complexes can be altered, thereby tuning their magnetic properties and achieving the preparation of single-molecule magnets.
Article
Chemistry, Inorganic & Nuclear
Sophie A. Fitzgerald, Haleema Y. Otaif, Christopher E. Elgar, Natalia Sawicka, Peter N. Horton, Simon J. Coles, Joseph M. Beames, Simon J. A. Pope
Summary: A series of ligands have been synthesized based upon a polysubstituted 2-phenylquinoxaline core structure, with different combinations of fluorine and methyl substituents. These ligands were investigated as cyclometalating agents for Ir(III) and displayed tunable luminescence properties with MLCT contributions to the lowest energy absorption.
INORGANIC CHEMISTRY
(2021)
Review
Chemistry, Inorganic & Nuclear
Yujie Zhang, Francisco de Azambuja, Tatjana N. Parac-Vogt
Summary: Group (IV) metal oxo clusters are a diverse class of compounds with unique structural stability, reactivity and electronic properties. Despite their potential applications in catalysis, materials chemistry, electronics and optics, gaps in fundamental understanding about their structure, intrinsic features, and nuances in their synthesis hinder their full exploration. Through a critical overview of the chemistry of discrete zirconium, hafnium, and titanium metal oxo clusters reported in the literature, important insights on their properties, reactivity, and potential applications have been provided.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Chemistry, Inorganic & Nuclear
Ashlyn R. Hale, Megan E. Lott, Juan E. Peralta, Dolos Foguet-Albiol, Khalil A. Abboud, George Christou
Summary: This article reports on the synthesis, structure, and magnetic properties of three related iron(III)-oxo clusters. The study reveals that all the complexes exhibit dominant antiferromagnetic coupling, and the ground-state spins of the molecules were determined through calculations and a magnetostructural correlation.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Daniel Vidal, Jordi Cirera, Jordi Ribas-Arino
Summary: Exploring the chemical space of a ligand and modulating its ligand field strength is an effective strategy for fine-tuning the physical properties of spin-crossover complexes. This computational study investigates how ligand substituent effects can modulate the transition temperature (T-1/2) in Fe(iii) SCO systems and identifies suitable descriptors for predicting these changes. The study provides insights into the design of new SCO systems with specific T-1/2 values based on ligand design.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Ganesh Chandra Paul, Prasenjit Sarkar, Amrit Sarmah, Prantick Shaw, Suvendu Maity, Chandan Mukherjee
Summary: The study synthesized a mono(oxo)-bridged dinuclear manganese complex with an iminobenzosemiquinone form of the 2-aminophenol unit in the ligand. The complex exhibited antiferromagnetic couplings and a complex electronic structure, with specific UV-Vis-NIR absorption characteristics.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Physical
Qiu-Hong Zhu, Lei Zhang, Guo-Hao Zhang, Guo-Hong Tao, Song Qin, Hao Chen, Wen-Li Yuan, Yuan-Hao Wang, Yinghua Jin, Lijian Ma, Ling He, Wei Zhang
Summary: This study systematically investigates the alkyne metathesis catalyzed by molybdenum-based multidentate complexes using density functional theory calculations. The research reveals the roles of multidentate ligands in inhibiting polymerization pathways and tuning catalytic activity, providing guiding principles for the design of high-performance multidentate catalysts.
MOLECULAR CATALYSIS
(2022)
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
Yushu Jiao, Sergio Sanz, Natalya V. Izarova, Jan van Leusen, Sidra Sarwar, Scott J. Dalgarno, Euan K. Brechin, Paul Koegerler
Summary: The complementarity between calixarene and polyoxometalate ligands leads to the formation of the first organic-inorganic hybrid compound [(ML)-L-III{Mo5O13(OMe)(4)(NO)}](2-) (M = Y, Gd and Dy), which exhibits a distorted square-antiprismatic MO8 ligand field and shows slow relaxation of magnetisation in the Dy derivative.
DALTON TRANSACTIONS
(2022)
