The LiWO single crystal was first grown by applying the Czochralski technique with weight control and low-temperature-gradients. A single crystal of LiWO is one of the perspective materials for researching rare events. The heat capacity for a LiWMoO single crystal has been determined by DSC calorimetry in the temperature range 320-997 K for the first time. No anomalies in the heat capacity associated with phase transitions were found. The standard formation enthalpy for the LiWO single crystal was studied using reaction calorimetry. It has been shown that the relation of standard formation enthalpies for LiWMoO ( = 0.15-0) with function (1-)W + Mo are close to linear, which allows one to predict the thermodynamic properties for single crystals with isotopes LiWMoO and LiWO. It was shown that single crystals with isotopes are more thermodynamically stable than without isotopes.
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http://dx.doi.org/10.1039/d1dt01620b | 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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