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Osmium(III) Acetylacetonate and Its Missing Polymorph: A Magnetic and Structural Investigation.
Inorg Chem
September 2024
Department of Chemistry "Ugo Schiff", DICUS and INSTM Research Unit, University of Florence, Via della Lastruccia 3-13, 50019 Sesto Fiorentino, Florence, Italy.
Article Synopsis
- The magnetic behavior of 4d and 5d metal ion complexes, like osmium(III) acetylacetonate [Os(acac)], is not well-studied, highlighting the need for comprehensive multi-technique research.
- X-ray diffraction couldn't resolve the structure of the β-polymorph of [Os(acac)], but combined magnetic and spectroscopic methods confirmed its orthorhombic structure, which is similar to that of a ruthenium(III) compound.
- The study also found that all acetylacetonate complexes in the eighth group of the periodic table show similar structural characteristics, and utilized novel torque magnetometry to observe the complex's magnetic properties, including the orientation of the easy axis and unique magnetic
Probing Short-Range Interactions in Isostructural Hydrate and Perhydrate of Dabrafenib by Magic-Angle Spinning Solid-State NMR.
Anal Chem
July 2024
Tata Institute of Fundamental Research Hyderabad, Hyderabad, Telangana 500046, India.
Dabrafenib (), an anticancer drug, exhibits isostructural properties in its hydrate () and perhydrate () forms, as revealed by single-crystal X-ray diffraction. Despite the HO and HO solvent molecules occupying identical locations, the two polymorphs have different thermal behaviors. In general, determination of stoichiometry of HO in the perhydrate crystals is difficult due to the presence of both HO and HO in the same crystal voids.
View Article and Find Full Text PDFComprehensive Insights into Sulfaguanidine in the Solid State: An Experimental and Computational Study.
Cryst Growth Des
February 2024
Institute of Pharmacy, University of Innsbruck, Innrain 52c, 6020 Innsbruck, Austria.
Article Synopsis
- - A comprehensive study re-evaluated sulfaguanidine's solid-state behavior, identifying five anhydrates, two monohydrate polymorphs, and nine solvates, including nine new structures derived from powder X-ray diffraction data.
- - Calorimetric measurements indicated that one polymorph is stable at room and low temperatures, while another is stable at higher temperatures, showcasing significant kinetic stability and hydration resilience.
- - The research also provided insights into the hydrogen bonding and packing arrangements in sulfaguanidine, establishing a valuable model for understanding complex solid-state systems.
Electronic Structure Analysis of the ATtP System (A=Li-Cs; Tt=Si, Ge, Sn) and Synthesis of the Direct Band Gap Semiconductor KSnP.
Chemistry
April 2024
School of Natural Science, Technical University of Munich, Chair of Inorganic Chemistry with Focus on Novel Materials, Lichtenbergstraße 4, D-85747, Garching, Germany.
Investigating the relationship between atomic and electronic structures is a powerful tool to screen the wide variety of Zintl phases for interesting (opto-)electronic properties. To get an insight in such relations, the ATtP system (A=Li-Cs; Tt=Si-Sn) was picked as model system to analyse the influence of structural motives, combination of elements and their properties on type and width of the band gaps. Those compounds comprise two interesting structural motives of their anions, which are either monomeric trigonal planar TtP units which are isostructural to CO or [TtP] dimers which correspond to two edge-sharing TtP tetrahedra.
View Article and Find Full Text PDFDesolvation Processes in Channel Solvates of Niclosamide.
Mol Pharm
November 2023
Department of Chemistry, Georgetown University, 37th and O Streets NW, Washington, District of Columbia 20057-1227, United States.
The antiparasitic drug niclosamide (NCL) is notable for its ability to crystallize in multiple 1:1 channel solvate forms, none of which are isostructural. Here, using a combination of time-resolved synchrotron powder X-ray diffraction and thermogravimetry, the process-induced desolvation mechanisms of methanol and acetonitrile solvates are investigated. Structural changes in both solvates follow a complicated molecular-level trajectory characterized by a sudden shift in lattice parameters several degrees below the temperature where the desolvated phase first appears.
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