Two polymorphic structures of the Schiff base 2-1-[(2-aminophenyl)imino]ethylphenol, compound (1), C14H14N2O are reported. Depending on the solvent used for recrystallization it crystallizes as either a monoclinic or an orthorhombic polymorph. The monoclinic form, polymorph [1] contains three, while the orthorhombic polymorph [2] contains only one molecule in the asymmetric unit. In both polymorphs, a strong intramolecular O-H•••N hydrogen bond is present from the stereochemical reason due to the rigidity of the chelate ring. Weak intermolecular N-H•••O interactions appearing in both structures combine the molecules in the form of infinite columns by the graph-set motif C22(7).
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Sci Adv
January 2025
Department of Nuclear Engineering, University of Tennessee, Knoxville, TN 37996, USA.
Metastable phases can exist within local minima in the potential energy landscape when they are kinetically "trapped" by various processing routes, such as thermal treatment, grain size reduction, chemical doping, interfacial stress, or irradiation. Despite the importance of metastable materials for many technological applications, little is known about the underlying structural mechanisms of the stabilization process and atomic-scale nature of the resulting defective metastable phase. Investigating ion-irradiated and nanocrystalline zirconia with neutron total scattering experiments, we show that metastable tetragonal ZrO consists of an underlying structure of ferroelastic, orthorhombic nanoscale domains stabilized by a network of domain walls.
View Article and Find Full Text PDFIUCrdata
October 2024
Nelson Mandela University, Summerstrand Campus, Department of Chemistry, University Way, Summerstrand, PO Box 77000, Port Elizabeth, 6031, South Africa.
The title compound, CHO, is an α-hy-droxy-carb-oxy-lic acid whose ortho-rhom-bic polymorph has been reported earlier [Qiu (2007 ▸). , , 1819-1824]. The asymmetric unit contains two complete mol-ecules.
View Article and Find Full Text PDFInorg Chem
December 2024
School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore.
Barium zirconium trisulfide (BZS) is a three-dimensional (3D) perovskite with optoelectronic properties suitable for photovoltaic (PV) and light-emitting diode (LED) applications that is conventionally reported in the orthorhombic (62) symmetry. Synchrotron X-ray diffraction, thermal analysis, and Raman and absorption spectroscopy revealed three high-temperature polymorphs that appear when BZS is heated in air prior to complete oxidation (BaZrS + 5O → BaSO + ZrO + 2SO↑) at 700 °C with the approximate stability ranges: BaZrS IV (62)T < 400 °CBaZrS III (63)400 °C ≤ T ≤ 500 °CBaZrS II14/ (140)500 °C ≤ T ≤ 700 °CDifferential scanning calorimetry (DSC) revealed exothermic features accompanying the IV → III and III → II phase changes. Furthermore, the direct band gap varied inversely with temperature with distinct energies for each polymorph (1.
View Article and Find Full Text PDFNanoscale
December 2024
Electronic Materials Research Center, Korea Institute of Science and Technology, Seoul 02792, Korea.
In-plane tensile strain was reported to enhance the ferroelectricity of HfZrO thin films by promoting the formation of a polar orthorhombic (PO-) phase. However, its origin remains yet to be identified unambiguously, although a strain-related thermodynamic stability variation was reported. This work explores the kinetic effects that have been overlooked to provide a precise answer to the problem, supplementing the thermodynamic calculations.
View Article and Find Full Text PDFDalton Trans
January 2025
Department of Physics, Hanoi National University of Education, 136 Xuanthuy, Caugiay, Hanoi, Vietnam.
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