Article
Chemistry, Inorganic & Nuclear
Arkadiusz Kornowicz, Michal Terlecki, Iwona Justyniak, Daniel Prochowicz, Jan van Leusen, Paul Koegerler, Janusz Lewinski
Summary: This study reports on the synthesis and structure characterization of a new type of cyclodextrin complex with inherent self-organization. The study found that the symmetry of the cyclodextrin ligands determines the molecular composition and supramolecular arrangement of the complexes.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Lukasz Wolanski, Marvin Metzelaars, Jan van Leusen, Paul Koegerler, Wojciech Grochala
Summary: The pressure-induced phase transitions of (MAgF3)-Ag-I-F-II perovskites have been theoretically predicted for the first time up to pressures of 100 GPa. Different from CsAgF3 which undergoes a single phase transition, the transitions for M=K and Rb involve a sequence of transformations from orthorhombic to monoclinic and back to orthorhombic, associated with bending and approaching of infinite chains of [AgF6](4-) octahedra.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Inorganic & Nuclear
Piotr Krupinski, Michal Terlecki, Arkadiusz Kornowicz, Iwona Justyniak, Daniel Prochowicz, Jan van Leusen, Paul Koegerler, Janusz Lewinski
Summary: This study presents an efficient approach for synthesizing homometallic clusters incorporating divalent transition-metal centers. The resulting complexes were characterized and analyzed for their structural and magnetic properties. The developed synthetic procedure holds promise for the development of new functional materials with interesting optoelectronic and self-assembly properties.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Iulia Cojocariu, Matteo Jugovac, Sidra Sarwar, Jeff Rawson, Sergio Sanz, Paul Koegerler, Vitaliy Feyer, Claus Michael Schneider
Summary: This article explores the unique optoelectronic properties of organic p-n junctions in the field of molecular electronics by adjusting the fluorination level in metal-supported bilayered Pc-based structures, with potential application in photovoltaic devices.
ADVANCED FUNCTIONAL MATERIALS
(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, 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)