Библиографическое описание:Thermochemistry, Structure, and Optical Properties of a New β-La2(SO4)3 Polymorphic Modification : научное издание / Sofia A. Basova [et al.]. - Текст : непосредственный // Inorganics. - 2023. - Т.11, №11. - P. 434. - The work was partly carried out within the framework of the Strategic Academic Leadership Program “Priority-2030” for the Kazan Federal University and the state assignment of the Kirensky Institute of Physics. - ISSN 2304-6740, DOI 10.3390/inorganics11110434.
Аннотация:<jats:p>A new polymorphic modification of lanthanum sulfate was obtained by thermal dehydration of the respective nonahydrate. According to powder X-ray diffraction, it was established that β-La2(SO4)3 crystallized in the C2/c space group of the monoclinic system with the KTh2(PO4)3 structure type (a = 17.6923(9), b = 6.9102(4), c = 8.3990(5) Å, β = 100.321(3)°, and V = 1010.22(9) Å3). Temperature dependency studies of the unit cell parameters indicated almost zero expansion along the a direction in the temperature range of 300–450 K. Presumably, this occurred due to stretching of the [LaO9]n chains along the c direction, which occurred without a significant alteration in the layer thickness over the a direction. A systematic study of the formation and destruction processes of the lanthanum sulfates under heating was carried out. In particular, the decisive impact of the chemical composition and formation energy of compounds on the thermodynamic and kinetic parameters of the processes was established. DFT calculations showed β-La2(SO4)3 to be a dielectric material with a bandgap of more than 6.4 eV. The processing of β-La2(SO4)3 with the Kubelka–Munk function exhibited low values below 6.4 eV, which indicated a fundamental absorption edge above this energy that was consistent with LDA calculations. The Raman and infrared measurements of β-La2(SO4)3 were in accordance with the calculated spectra, indicating that the obtained crystal parameters represented a reliable structure.</jats:p>
Держатель оригинала документа:A.M. Butlerov Chemistry Institute, Kazan Federal University, Center for Materials Research (LaMa), Justus-Liebig-University Giessen, Construction Institute, Industrial University of Tyumen, Departement of Science and Innovation, Northern Trans-Ural Agricultural University, Department of Inorganic and Physical Chemistry, Tyumen State University, Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University Giessen, Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Laboratory of Coherent Optics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Laboratory of Theory and Optimization of Chemical and Technological Processes, Tyumen State University, School of Engineering and Construction, Siberian Federal University, School of Natural Sciences, Tyumen State University
Количество экземпляров:
Твёрдая копия издания отсутствует в фонде библиотеки
