Abstract Ternary nitride semiconductors are rapidly emerging as a promising class of materials for energy conversion applications, offering an appealing combination strong light absorption in the visible range, desirable charge transport characteristics, and good chemical stability. In this work, it is shown that finite‐temperature lattice dynamics CuTaN 2 – prototypical ternary displaying particularly exhibit pronounced anharmonic character plays essential role defining its macroscopic...

An abundance of oxide, halide and chalcogenide perovskites have been explored, demonstrating outstanding properties, while the emerged nitride are extremely rare due to their challenging synthesis requirements. By inverting ion type in perovskite structure, corresponding antiperovskite structure is obtained. Among them, ternary nitrides X3AN (X = Ba, Sr, Ca, Mg; A As, Sb) recently identified as exhibiting excellent optoelectronic properties. To explore unrealized composition space...

An abundance of oxide, halide and chalcogenide perovskites have been explored, demonstrating outstanding properties, while the emerged nitride are extremely rare due to their challenging synthesis requirements. By inverting ion type in perovskite structure, corresponding antiperovskite structure is obtained. Among them, ternary nitrides X3AN (X = Ba, Sr, Ca, Mg; A As, Sb) recently identified as exhibiting excellent optoelectronic properties. To explore unrealized composition space...

Abstract The directed synthesis, spectroscopic properties, and reactivity of bis(trimethylphosphine) beryllium dichloride ( 1 ) bis(diphenylphosphino)propane 2 are reported, including the crystal structure (PMe 3 BeCl ). These four‐coordinate compounds can be alkylated with n‐butyllithium n BuLi) to give three‐coordinate (Ph PC H 6 PPh )Be Bu 4 PMe removed from in vacuo yield [ Be] 5 For first time, presence as a dimer solution, which has been postulated for decades, could observed...

Abstract The structures of alkali‐metal chloride SO 2 solvates (Li–Cs) in conjunction with 12‐crown‐4 or 1,2‐disila‐12‐crown‐4 show strong discrepancies, despite the structural similarity ligands. Both types crown ethers form 1:1 complexes LiCl to give [Li(1,2‐disila‐12‐crown‐4)(SO Cl)] ( 1 ) and [Li(12‐crown‐4)Cl] ⋅ 4 ). However, proved unable coordinate cations too large for cavity diameter, example, by formation sandwich‐type complexes. As a result, reacts exclusively heavier chlorides...

Herein we describe convenient lab scale syntheses of several uranium(<sc>iv</sc>) halides high purity by reaction AlX₃(X = Cl, Br and I) with UO₂, which is readily available reduction uranyl salts like UO₂(NO₃)₂·6H₂O.

The activation of C–Cl bonds in dichloromethane and chloroform was observed by BeCl2 the presence PMe3 PCy3. This leads to formation [Me3PCH2Cl]Cl [Cy3PCHCl2][BeCl3]. latter compound is first example a tricoordinated beryllium species with nonbulky ligands proof existence stability long-predicted [BeCl3]− ion. In analogy isoelectronic BCl3, trichloroberyllate anion exhibits Lewis acidic behavior toward electron-pair donors probed for electronic steric influence base. can also act as chloride...

Investigations on $\mathrm{II}\text{\ensuremath{-}}\mathrm{Sn}\text{\ensuremath{-}}{\mathrm{N}}_{2}$ ($\mathrm{II}=\mathrm{Mg}$, Ca) have been started very recently compared to the intense research of $\mathrm{Zn}\text{\ensuremath{-}}\mathrm{IV}\text{\ensuremath{-}}{\mathrm{N}}_{2}$ ($\mathrm{IV}=\mathrm{Si}$, Ge, Sn). In this work, we study phase stability ${\mathrm{MgSnN}}_{2}$ and ${\mathrm{ZnSnN}}_{2}$ in wurtzite rocksalt phases by first principles calculations. The calculated diagram...

Herein we describe a convenient lab scale synthesis for pure and solvent‐free binary uranium(III) halides UCl 3 , UBr UI . This is achieved by the reduction of respective uranium(IV) with elemental silicon in borosilicate ampoules at moderate temperature. The tetrahalides Si X 4 formed as side product are utilized removal excess starting material via chemical vapor transport reaction. syntheses introduced herein avoid need metallic uranium based on synthesized from UO 2 aluminum purified...

The thermoelectric performance of existing perovskites lags far behind that state-of-the-art materials such as SnSe. Despite halide showing promising properties, namely, high Seebeck coefficients and ultralow thermal conductivities, their is significantly restricted by low electrical conductivities. Here, we explore new multi-anion antiperovskites X6NFSn2 (X = Ca, Sr, Ba) via B-site anion mutation in antiperovskite global structure searches demonstrate phase stability first-principles...

We report on results of first-principles electronic structure calculations disordered $\mathrm{Zn}(\mathrm{Si},\mathrm{Ge},\mathrm{Sn}){\mathrm{N}}_{2}$ alloys. These substitutional alloys are carried out using the Korringa-Kohn-Rostoker Green function (KKR-GF) method in combination with coherent potential approximation (CPA) alloy theory. The band gaps and effective masses as well disorder-induced finite lifetime states at conduction minimum valence maximum evaluated by analyzing Bloch...

Gadolinium (Gd0) and uranium (U0) nanoparticles are prepared via lithium naphthalenide ([LiNaph])-driven reduction in tetrahydrofuran (THF) using GdCl3 UCl4, respectively, as low-cost starting materials. The as-prepared Gd0 U0 suspensions colloidally stable contain metal with diameters of 2.5 ± 0.7 nm 2.0 0.5 (U0). Whereas THF chemically under inert conditions (Ar vacuum), nanoparticulate powder samples show high reactivity contact with, for example, oxygen, moisture, alcohols, or halogens....

We report on the synthesis of two-layered alkali germanates, Na

In this work we present a facile, lab scale synthesis for thorium tetrahalides Th X 4 ( = Cl, Br, and I). The reaction between the easily available ThO 2 Al 3 I) subsequent in situ chemical vapor transport (CVT) leads to product of high purity, which is obtained form crystals or large aggregates crystals. Their identity purity was evidenced by X‐ray powder diffraction IR spectroscopy. usage avoids, unlike earlier syntheses, utilization scarcely metal other reactants, such as CCl ,...

Abstract This article presents an overview of recent advancements in the field uranium chemistry, paying special attention to preparation starting materials and chemistry halides liquid ammonia. Where suitable, insights into thorium are also presented. Herein, we report upon crystal structures several ammine complexes as well their deprotonation products. Specific examples hydrolysis products ammonia showcased. Additionally, cyanides

TiCl₃and NH₃form octaammine titanium(<sc>iii</sc>) chloride ammonia (1/6), [Ti(NH₃)₈]Cl₃·6NH₃, which is the first structurally characterized complex of a transition metal.

We have synthesized NOUF6 by direct reaction of NO with UF6 in anhydrous HF (aHF). Based on the unit cell volume and powder diffraction data, compound was previously reported to be isotypic O2 PtF6 , however, detailed structural such as atom positions all information that can derived from those, were unavailable. therefore investigated using single-crystal X-ray diffraction, IR, Raman, NMR, EPR, photoluminescence spectroscopy, magnetic measurements, well chemical analysis, density...

Abstract Es wird über die gezielte Synthese, spektroskopischen Eigenschaften und Reaktivität von Bis(trimethylphosphan)berylliumdichlorid ( 1 ) Bisdiphenylphosphinopropanberylliumdichlorid 2 ), inklusive der Kristallstruktur (PMe 3 BeCl berichtet. Diese vierfach koordinierten Berylliumverbindungen können mit n Butyllithium BuLi) zu dreifach koordiniertem (Ph PC H 6 PPh )Be Bu 4 alkyliert werden. PMe kann im Vakuum aus entfernt werden, um [ Be] 5 erhalten. Zum ersten Mal wurde seit Dekaden...

β-Uranium(V) fluoride was reacted with liquid anhydrous hydrogen cyanide to obtain a 1D coordination polymer the composition 1∞ [UF5 (HCN)2 ], [UF4/1 F2/2 - (HCN)2/1 revealed by single-crystal X-ray structure determination. The reaction system furthermore studied means of vibrational and NMR spectroscopy, as well quantum chemical calculations. compound presents first described polymeric HCN Lewis adduct uranium fluoride.

Abstract Light‐emitting diodes (LEDs) producing pure, highly saturated colors are the industry standard for efficient backlighting of high‐color gamut displays. Vivid color reproduction, matching eye's perception nature, is central paradigm in design narrow‐band emitting phosphors. To cover a wide range naturally occurring tones, expansion green spectral region, and therefore an advanced applicable phosphor, desired. Herein, oxonitridoberyllosilicate Ba[BeSiON 2 ]:Eu 2+ showing outstanding...

The reaction of uranium tetrachloride with anhydrous liquid hydrogen cyanide yields a turquoise microcrystalline powder tetrachloridotetraformonitrileuranium(<sc>iv</sc>), [UCl₄(HCN)₄].

Abstract A new and facile synthesis of O 2 PtF 6 is reported without the demanding or use high pressure fluorination in presence oxygen. The obtained form single crystals by direct Klemm ‐type commercially available PtO · x H a stream diluted F atmospheric at temperature 275 °C. Its identity purity was evidenced powder X‐ray diffraction, Raman infrared spectroscopy. allows preparation pure dioxygenyl hexafluoridoplatinate(V). deemed more convenient than those that require extremely reactive .

Abstract The redetermination of the crystal structure trigonal UCl 6 , which is eponym for type, showed that certain atomic coordinates had been incorrectly reported. This led to noticeably different U−Cl distances within octahedral molecule (2.41 and 2.51 Å). Within revised model presented here, based on single data as well quantum chemical calculations, all are essentially equal standard uncertainty (2.431(5), 2.437(5), 2.439(6) room temperature modification, called rt‐UCl crystallizes in...

Abstract We report on the single crystal structure of Na 2 PtF 6 , which was synthesized from (NH 4 ) PtCl and NaCl in a flow 10 % F argon. The light yellow compound crystallizes SiF type with trigonal space group P 321 lattice parameters = 9.2981(2), c 5.1147(1) Å, V 382.95(1) Å 3 at 123 K Z 3. reacts liquid ammonia yielding bis triamminesodium hexafluoridoplatinate(IV) [Na(NH ] [PtF ]. It monoclinic C 2/ 14.0508(4), b 8.4894(1), 12.8820(4) β 120.495(4)°, 1324.05(6) 4. In contrast to...