Article
Chemistry, Multidisciplinary
Martin Moebs, Tim Graubner, Kim Eklund, Antti J. Karttunen, Florian Kraus
Summary: This study investigates the preparation method, properties and reactions of BrF5 through treating BrF3 with fluorine under UV light. A monoclinic polymorph of BrF5 is predicted and verified by X-ray diffraction. The crystal structures of alkali metal hexafluoridobromates(V) formed by reacting BrF5 with alkali metal fluorides are also determined. Intrinsic bond orbital analysis is conducted to study the chemical bonds and lone pairs on the heavy atoms of [BrF6](+), BrF5, [BrF6](-), and [IF6](-).
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Inorganic & Nuclear
Elena I. Davydova, Alexander Virovets, Eugenia Peresypkina, Anna V. Pomogaeva, Anna S. Lisovenko, Alexey Y. Timoshkin
Summary: The structures of two new molecular complexes of antimony pentafluoride with pyridine and acetonitrile, as well as a molecular complex of antimony trifluoride in the solid state, were determined by single crystal X-ray structural analysis. DFT computations were performed to analyze the electronic structure and stability of the complexes, revealing a network of pnictogen bonds in the intermolecular interactions.
DALTON TRANSACTIONS
(2021)
Article
Chemistry, Multidisciplinary
Tori Cox, Volodymyr Gvozdetskyi, Mark Bertolami, Shannon Lee, Kristian Shipley, Oleg Lebedev, Julia Zaikina
Summary: The study utilized machine learning for compositional screening of the K-Zn-Sb ternary system, resulting in the synthesis of a novel clathrate type XI K58Zn122Sb207 with a complex non-centrosymmetric structure. This clathrate exhibits a narrow-gap p-type semiconductor behavior with extremely low thermal conductivity, attributed to the displacement of K cations inside oversized cages and structural defects.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Martin Moebs, Tim Graubner, Antti J. Karttunen, Florian Kraus
Summary: The reaction of Cs[BrF6] with BrF5 resulted in the formation of Cs[Br3F16], a compound with an unprecedented propeller-shaped, C-3-symmetric [(& mu;(3)-F)(BrF5)(3)](-) anion. Unlike other fluoridobromates(V), which contain only octahedral [BrF6](-) anions, the [(& mu;(3)-F)(BrF5)(3)](-) anion exhibits stereochemical activity of the lone pair on the Br atoms due to the longer & mu;(3)-F-Br bonds. Cs[Br3F16] was characterized using various techniques and quantum-chemical calculations support the stereochemical activity of the Br(V) atoms' lone pairs.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Fei-Yan Qi, Muge Shele, Menghe Baiyin
Summary: Two ternary antimony-chalcogenides, Cs4Sb4S8 and Cs3Sb5Se9, were synthesized in organic solvent under solvothermal conditions. The band gaps of the two compounds were estimated to be 2.11 and 1.54 eV, respectively, based on solid-state absorption spectra.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Hua-Jun Zhao, Peng-Fei Liu
Summary: A novel lithium metal thioantimonate with a 0D structure has been synthesized, featuring unique discrete clusters in a pseudolayer motif extending in the AB plane. The compound exhibits a direct bandgap of 2.6 eV, attributed to electronic transitions from the valence band dominated by 3p states of disulfide ions to the 5d states of Ba atoms and 3p states of disulfide ions.
JOURNAL OF SOLID STATE CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Zoran Mazej, Evgeny Goreshnik
Summary: Experiments on the preparation of various mixed cations salts were mostly unsuccessful, except for the successful preparation of XeF5Ni(AsF6)(3). Crystal structures were determined for several salts, including XeF5Ni(AsF6)(3), XeF5TaF6, XeF5RhF6, XeF5IrF6, XeF5Nb2F11, XeF5Ta2F11, and [Ni(XeF2)(2)](IrF6)(2).
Article
Chemistry, Inorganic & Nuclear
Tatyana Mezhenkova, Vladislav V. Komarov, Victor M. Karpov, Yaroslav Zonov, Yuri Gatilov
Summary: Research shows that the reaction of perfluorotetralin with various fluorinated benzenes can lead to the formation of different perfluorinated compounds, including perfluoro-1,2,3,10b-tetrahydrofluoranthene, perfluoro-5,6-dihydrofluoranthen-6a(4H)-ol, and others.
JOURNAL OF FLUORINE CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Siqi Wang, Yaroslav V. Zonov, Victor M. Karpov, Olga A. Luzina, Tatyana V. Mezhenkova
Summary: This study describes the carbonylation reactions of mono and dihydroxy derivatives of polyfluorinated alkylbenzenes and benzocycloalkenes with benzylic hydroxyl groups in the presence of a superacid. The efficiency of different superacids was evaluated, and FSO3H-SbF5 showed the best results in most transformations.
Article
Crystallography
Juhyun Yoo, Sujin Kang
Summary: In order to enhance the piezoelectric properties and temperature stability of (Na,K)NbO3 system ceramics, newly manufactured ceramics were synthesized by adding antimony as a function of antimony substitution. The amount of antimony increased the grain size, enhanced the dielectric constant, and decreased the Curie temperature. The x = 0.07 sample sintered at 1060 degrees C showed the best electrical characteristics, making it the ideal material for piezoelectric speakers.
Article
Chemistry, Inorganic & Nuclear
Brent Lindquist-Kleissler, Monica Weng, Pierre Le Magueres, Graham N. George, Timothy C. Johnstone
Summary: This study revealed that pentaphenylantimony (SbPh5) actually adopts a VSEPR-compliant trigonal bipyramidal geometry in solution, contrary to the previously assumed square pyramidal geometry. The use of Sb X-ray absorption spectroscopy (XAS) confirmed this finding and provided insight into the spectroscopic features through time-dependent density functional theory calculations.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Faisal Hayat, Syed Niaz Ali Shah, Francine Belanger-Gariepy, Ziaur Rehman
Summary: In this study, a new piperidine-based homoleptic antimony (III) dithiocarbamate complex and a piperazine-based complex were synthesized and spectroscopically characterized. The molecular and supramolecular features of these compounds were identified using single crystal XRD data. Interestingly, a rarely observed Sb center dot center dot center dot Sb linkage was observed in one of the complexes. This rarity was investigated through CSD retrieval and DFT studies, and the findings were consistent with the experimental results.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Mikhail A. Bondarenko, Pavel A. Abramov, Pavel E. Plyusnin, Alexander S. Novikov, Maxim N. Sokolov, Sergey A. Adonin
Summary: Bromoantimonate(III) species generated in solution by reaction of Sb2O3 and HBr can be oxidized by Br-2 into mixed-valence complexes. The outcome of these reactions is influenced by the nature of cation used for isolation of solid complexes, and the structures of the complexes were determined by X-ray diffractometry.
Article
Materials Science, Multidisciplinary
Hong-Xia Liu, Xin-Yue Zhang, Zhong-Lin Bu, Wen Li, Yan-Zhong Pei
Summary: The research focuses on the systematic investigation of the thermoelectric properties of (GeTe)(1-x)[(Ag2Te)(0.4)(Sb2Te3)(0.6)](x) alloys, discovering that increasing the value of x in the alloy can enhance the Seebeck coefficient but reduce the Hall mobility. Furthermore, additional phonon scattering caused by point defects can lower the lattice thermal conductivity, thereby improving thermoelectric efficiency.
Article
Chemistry, Inorganic & Nuclear
Tobias Dunaj, Kevin Dollberg, Carsten von Haenisch
Summary: Multiple interpnictogen compounds with covalent single bonds between a diarylbismuth fragment and lighter pnictogens were synthesized. The compounds were characterized using NMR and IR spectroscopy, mass spectrometry, elemental analysis, and single crystal X-ray diffraction.
DALTON TRANSACTIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Xianda Wu, Minghong Chen, Shuiyun Zheng, Fu-Sheng He, Jie Wu
Summary: Here, we report a new method for synthesizing sulfilimines through an iron-catalyzed reaction between sulfenamides and 2,2,2-trifluor-diazoethane. This protocol features operational simplicity, mild conditions, and can be conducted in open air, providing a facile approach to trifloromethylated sulfilimines in moderate to good yields.
JOURNAL OF FLUORINE CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Ita Hajdin, Romana Pajkert, Haibo Mei, Jianlin Han, Gerd-Volker Roeschenthaler
Summary: A catalyst- and solvent-free 1,3-dipolar cycloaddition reaction using a bench-stable diazo reagent has been developed to obtain a series of novel 3H-pyrazoles bearing difluoromethyl phosphonate unit in moderate-to-excellent yields. This method provides an efficient and easy route to synthesize valuable compounds.
JOURNAL OF FLUORINE CHEMISTRY
(2024)
