Article
Chemistry, Inorganic & Nuclear
Wan-Wan Yao, Bin-Bin Ma, Lei Xu, Dong-Sheng Shao, Yin Qian, Wen-Long Liu, Xiao-Ming Ren
Summary: Solid solutions provide an opportunity to modulate the structural and physical properties of materials and enhance our understanding of physical phenomena. In this study, two salts and their solid solutions were prepared and characterized. Magnetic phase transitions were observed in the salts, with the solid solutions showing regular antiferromagnetism or uniform ferromagnetic chain behavior depending on the fluorine content. It was found that the solid solutions exhibited higher transition temperatures compared to the parent salts and the magnetic coupling behavior in the high temperature phase showed anomalous changes with fluorine content.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Materials Science, Ceramics
A. Laurikenas, D. Sakalauskas, A. Marsalka, R. Raudonis, A. Antuzevics, V. Balevicius, A. Zarkov, A. Kareiva
Summary: Yttrium aluminium garnet (YAG) specimens with partial substitution of yttrium by lanthanum Y3-xLaxAl5O12 (YLaAG) were prepared using an aqueous sol-gel method, and analyzed by various techniques. Luminescent properties were found to be closely related to the phase composition, and solid state NMR and EPR methods were essential for explaining the processes and properties observed in the newly synthesized Y3-xLaxAl5O12 compounds.
JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY
(2021)
Article
Chemistry, Physical
Chuanyou Niu, Yuancai Gong, Ruichan Qiu, Qiang Zhu, Yage Zhou, Shasha Hao, Weibo Yan, Wei Huang, Hao Xin
Summary: The study reveals the chemical reactions and conversion path from solution to absorber material using CuCl, Zn(OAc)2, SnCl4, and thiourea (Tu) as precursors in a DMF solution. Monitoring of the selenization process results in the fabrication of a high efficiency and high quality CZTSSe absorber film.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Engineering, Electrical & Electronic
Kapeesha Nehra, Anuj Dalal, Anjli Hooda, Devender Singh, Rajender Singh Malik, Sumit Kumar
Summary: 1,10-Phenanthroline-based luminescent materials are important in optoelectronic applications, with a strong impact of substituents on the photoluminescent properties of the ligand. The synthesized compounds showed energy band gap values between 3.0-4.5 eV and exhibited intense broad band emission spectra in the visible region upon excitation in the ultraviolet region. Geometry and frontier molecular orbitals calculation were carried out using Avogadro and ORCA software for further analysis.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Chemistry, Physical
Ilya S. Sosulin, Vladimir I. Feldman
Summary: The vibrational spectrum of the CF2+ radical cation was characterized for the first time using FTIR spectroscopy. The radical cation was produced through X-ray radiolysis of difluoromethane in solid argon. Ab initio calculations at the CCSD (T)/L3a_3 level of theory were used to assign the absorption peaks at 1567.6 cm-1, 1379.4 cm-1, and 613.8 cm-1 to the antisymmetric and symmetric stretching, and bending modes of CF2+.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Physics, Applied
E. L. Osina, S. B. Osin
Summary: Based on experimental and theoretical data, this study analyzes the structure and vibrational frequencies of dimeric scandium trifluoride and calculates its thermodynamic functions. The composition of scandium trifluoride vapor is also determined within a specific temperature range. The obtained values are added to the IVTANTHERMO software package database.
Article
Chemistry, Inorganic & Nuclear
Lara A. Fogaca, Eva Kovats, Gergely Nemeth, Katalin Kamaras, Kende A. Beres, Peter Nemeth, Vladimir Petrusevski, Laura Bereczki, Berta Barta Hollo, Istvan E. Sajo, Szilvia Klebert, Attila Farkas, Imre M. Szilagyi, Laszlo Kotai
Summary: Two monoclinic polymorphs of [Ag(NH3)(2)]MnO4 containing a unique coordination mode of permanganate ions were prepared, with the high-temperature polymorph used as a precursor to synthesize pure AgMnO2. During thermal decomposition, the hydrogen bonds between permanganate ions and ammonia atoms induced a solid-phase quasi-intramolecular redox reaction, leading to the formation of finely dispersed elementary silver, amorphous MnOx compounds, and gases such as H2O, N-2, and NO. Subsequent annealing of the primary decomposition product resulted in the formation of amorphous silver manganese oxides, which transformed into AgMnO2 at higher temperatures.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Physical
Bruce S. Ault
Summary: This study investigated the photolytically-induced reactions of ozone with vinyl bromide and vinyl fluoride in argon matrixes under red LED or Hg lamp irradiation. The main products were bromoacetaldehyde for vinyl bromide and fluorooxirane for vinyl fluoride. The results were consistent with earlier studies and supported by extensive DFT calculations.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Frederik Bader, Sebastian Riedel, Helmut Beckers, Carsten Mueller, Jean Christophe Tremblay, Beate Paulus
Summary: This paper explores the interaction between rare gas matrices and trifluoride guest anions through theoretical modeling, shedding light on the origin of observed matrix effects. The study reveals the structural variability in hosting trifluoride in neon and argon matrices, highlighting the importance of theoretical modeling to complement experimental observations.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Spectroscopy
M. Pagacz-Kostrzewa, K. Mucha, W. Gul, M. Wierzejewska
Summary: The UV-induced photochemistry and molecular structure changes of 3-aminopyrazine-2-carboxylic acid were studied, with various isomers identified and reactions observed, including cleavage of the pyrazine ring and formation of derivatives.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Physical
Matthew H. Graneri, Duncan A. Wild, Allan J. McKinley
Summary: The interaction between water and phosphine in solid argon matrices was investigated, revealing the formation of a weak hydrogen bonded complex.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Astronomy & Astrophysics
Rebecca A. Carmack, Patrick D. Tribbett, Mark J. Loeffler
Summary: This study finds that the internal pores of ASW can be accessed from the surface, regardless of the thickness of the ice mantle. The amount of gas needed to fill the pores increases linearly with the ASW column density, suggesting that the interconnectivity to the surface remains even in thicker ice formations. This has important implications for the chemical evolution of ASW-rich surfaces in the outer solar system.
ASTROPHYSICAL JOURNAL
(2023)
Article
Chemistry, Physical
Artyom A. Yakubenko, Aleksandra M. Puzyk, Vladislav O. Korostelev, Valeriia V. Mulloyarova, Elena Yu Tupikina, Peter M. Tolstoy, Alexander S. Antonov
Summary: Triphenylpnictogens can be oxidized to obtain diphenylpnictioginic acids, and the structure of these acids varies in solid state and solution.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Rashmi Jena, Florian Benner, Francis Delano, Daniel Holmes, John McCracken, Selvan Demir, Aaron L. Odom
Summary: A room temperature stable complex, Y(NHAr*)(2), was prepared through KC8 reduction of ClY(NHAr*)(2), where Ar* = 2,6-(2,4,6-(Pr-i)(3)C6H2)C6H3. Through EPR evidence, it was shown that Y(NHAr*)(2) is a d(1) Y(ii) complex with significant delocalization of the unpaired electron density from the metal to the ligand. Interestingly, Y(NHAr*)(2) reacts as a radical donor towards (BuNC)-Bu-t, resulting in the formation of an unusual yttrium isocyanide complex, CNY(NHAr*)(2), as supported by spectroscopic evidence and single-crystal X-ray diffraction data.
Article
Multidisciplinary Sciences
Fan Yang, Xiang Wu, Han Cui, Zihao Ou, Shan Jiang, Sa Cai, Qi Zhou, Bryce G. Wong, Hans Huang, Guosong Hong
Summary: The study used a bioinspired demineralization (BID) strategy to synthesize stable colloidal solutions, which can be used for multi-color luminescent tagging applications in vivo.