Polycrystalline samples of the magnesium-rich intermetallic compounds RECuMg (RE = Dy, Ho, Er, Tm) were synthesized by reaction of the elements in sealed tantalum ampoules heated in a high-frequency induction furnace. Phase purity of the RECuMg phases was ascertained by powder X-ray diffraction patterns. Well-shaped single crystals of HoCuMg could be grown in a NaCl/KCl salt flux and the crystal structure was refined from single crystal X-ray diffraction data: TbCuMg structure-type, space group , = 1361.4(2), = 2039.3(4), = 384.62(6) pm. The crystal structure of the RECuMg phases can be understood as a complex intergrowth variant of CsCl and AlB related slabs. The remarkable crystal chemical motif concerns the orthorhombically distorted bcc-like magnesium cubes with Mg-Mg distances ranging from 306 to 334 pm. At high temperatures DyCuMg and ErCuMg are Curie-Weiss paramagnets with paramagnetic Curie-Weiss temperatures of -15 K and -2 K for RE = Dy and Er, respectively. The effective magnetic moments, 10.66 for RE = Dy and 9.65 for RE = Er prove stable trivalent ground states for the rare earth cations. Magnetic susceptibility and heat capacity measurements reveal long-range antiferromagnetic ordering at low temperatures (<21 K). Whereas DyCuMg exhibits two subsequent antiferromagnetic transitions at = 21 and 7.9 K which successively remove half of the entropy of a doublet crystal field ground state of Dy, ErCuMg shows a single, possibly broadened, antiferromagnetic transition at 8.6 K. The successive antiferromagnetic transitions are discussed with respect to magnetic frustration in the tetrameric units present in the crystal structure.
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http://dx.doi.org/10.1039/d3dt01511d | DOI Listing |
Sci Rep
January 2025
Multifunctional Materials Laboratory, Department of Physics, Indian Institute of Technology Madras, Chennai, 600036, India.
The utilization of single crystals is exponentially growing in optoelectronic devices due to their exceptional benefits, including high phase purity and the absence of grain boundaries. However, achieving single crystals with a porous structure poses significant challenges. In this study, we present a method for fabricating porous single crystals (porous-SC) of CsAgBiBr and related halide double perovskites using an infrared-assisted spin coating technique.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Department of Chemistry, Dr. Harisingh Gour Vishwavidyalaya, (A Central University), Sagar, India.
We report a direct application of the molecular tailoring approach-based (MTA-based) method to calculate the individual hydrogen bond (HB) energy in molecular crystal. For this purpose, molecular crystals of nitromalonamide (NMA) and salicylic acid (SA) were taken as test cases. Notably, doing a correlated computation using a large molecular crystal structure is difficult.
View Article and Find Full Text PDFBioorg Chem
December 2024
Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, PR China. Electronic address:
Nidustrin A (1), the first cysteine-retained emestrin featuring a unique sulfur-containing 18-membered macrocyclic lactone, along with four biogenetically related compounds (2-5), and one known analogue secoemestrin C (6), were isolated from the large-scale culture of Aspergillus nidulans, an endophytic fungus derived from the Whitmania pigra. Compounds 2 and 3 represent the second examples of noremestrin besides the previously reported noremestrin A, and the single crystal X-ray diffraction analysis of compound 2 provided solid evidence for the intriguing skeleton of noremestrin. Their structures were determined by extensive spectroscopic data, electronic circular dichroism calculations, and single-crystal X-ray diffraction.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
December 2024
School of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Chemical Reaction Engineering, Laboratory of New Energy & New Function Materials, Yanan University, Yan'an 716000, China.
Elemental analysis, infrared spectroscopy, and X-ray single crystal diffraction indicated that a novel metal-organic framework (Tb-MOF) designated as 0.5n[Hbpy]·[Tb(dpa)(HO)]·4nHO was synthesized successfully, (where Hdpa = 5-(3, 4-dicarboxy- phenoxy) isophenic acid, bpy = protonated 4,4'-bipyridine). Tb-MOF adopts a 3D network structure based on Tb ions and the (dpa) ligand through µ: η, η, η, η binding modes.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
Jinan University, State Key Laboratory of Bioactive Molecules and Druggability Assessment, CHINA.
Secupyritines A‒C are unique polycyclic Securinega alkaloids isolated from medicinal plant Flueggea suffruticosa. They feature a distinctive 6/6/6/5/6 fused pentacyclic ring system with a highly strained 2-oxa-6-aza[4.4.
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