Crystal structure and Hirshfeld surface analysis of the salt 2-iodo-ethyl-ammonium iodide - a possible side product upon synthesis of hybrid perovskites.

The title organic-inorganic hybrid salt, CHIN·I, is isotypic with its bromine analog, CHBrN·Br [Semenikhin (2024 ▸). E, 738-741]. Its asymmetric unit consists of one 2-iodo-ethyl-ammonium cation and one iodide anion.

Fine-tuning of optical band gap in mixed halide aziridinium lead perovskites.

Hybrid halide perovskites form a promising class of light-absorbing materials. Among the numerous 3D semiconducting perovskites, there is a group of emerging aziridinium-based hybrids that are considered to be prospective materials for optoelectronic applications. In this work, we report the mixed halide aziridinium perovskites of (AzrH)PbBrxI3-x series (AzrH = aziridinium).

Crystal structure and Hirshfeld surface analysis of 2-bromo-ethyl-ammonium bromide - a possible side product upon synthesis of hybrid perovskites.

This study presents the synthesis, characterization and Hirshfeld surface analysis of a small organic ammonium salt, CHBrN·Br. Small cations like the one in the title compound are considered promising components of hybrid perovskites, crucial for optoelectronic and photovoltaic applications. While the incorporation of this organic cation into various hybrid perovskite structures has been explored, its halide salt counterpart remains largely uninvestigated.

Phase Transitions, Dielectric Response, and Nonlinear Optical Properties of Aziridinium Lead Halide Perovskites.

Hybrid organic-inorganic lead halide perovskites are promising candidates for next-generation solar cells, light-emitting diodes, photodetectors, and lasers. The structural, dynamic, and phase-transition properties play a key role in the performance of these materials. In this work, we use a multitechnique experimental (thermal, X-ray diffraction, Raman scattering, dielectric, nonlinear optical) and theoretical (machine-learning force field) approach to map the phase diagrams and obtain information on molecular dynamics and mechanism of the structural phase transitions in novel 3D AZRPbX perovskites (AZR = aziridinium; X = Cl, Br, I).

Crystal structure of bis-(3-carb-oxy-1-methyl-pyrid-inium) octa-bromide.

The crystal structure of the title salt, bis-(3-carb-oxy-1-methyl-pyridinium) octa-bromide, 2CHNO ·Br , consists of 3-carb-oxy-1-methyl-pyridinium (-methyl-nicotinic acid) cations, which are stacked between relatively rare [Br] anions. The polybromide [Br] anion has point group symmetry and can be described as being composed of two [Br] anions connected with a Br mol-ecule in a -shaped manner. Contacts between neighboring octa-bromide anions ensure the creation of pseudo-polymeric chains propagating along [111].

Crystal structure and Hirshfeld surface analysis of bis-(3-aminopyrazole-κ)bis-(3-aminopyrazole-κ)bis-(nitrato-κ)copper(II).

In the crystal structure of the title compound, [Cu(NO)(CHN)], the Cu atom is situated on an inversion center (Wyckoff position 2 of space group 2/) and shows an octa-hedral [NO] coordination environment. The axial positions are occupied by O atoms of nitrate anions, while the equatorial positions are taken up by the N atoms of four 3-amino-pyrazole ligands. As a result of the tautomerism of the latter, two coordinate with the N-atom of 3-amino-pyrazole while the other two with the N-atom.

Novel NASICON-Type Na-V-Mn-Ni-Containing Cathodes for High-Rate and Long-Life SIBs.

Partial substitution of V by other transition metals in Na V (PO ) (NVP) can improve the electrochemical performance of NVP as a cathode for sodium-ion batteries (SIBs). Herein, phosphate Na-V-Mn-Ni-containing composites based on NASICON (Natrium Super Ionic Conductor)-type structure have been fabricated by sol-gel method. The synchrotron-based X-ray study, X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) studies show that manganese/nickel combinations successfully substitute the vanadium in its site within certain limits.

Structural diversity in proline-based lead bromide chiral perovskites.

Lead halide hybrid perovskites incorporating chiral organic cations attract considerable attention due to their promising application in multifarious optoelectronic devices. However, the examples of chiral hybrid perovskites are still limited, which greatly impedes their further studies in various optoelectronic fields. Herein, we report on new low-dimensional lead-halide hybrid perovskites incorporating the enantiopure chiral α-amino acid L-proline.

Chiral 2D organic-inorganic hybrid perovskites based on L-histidine.

Novel chiral hybrid perovskites are highly demanded for various advanced applications such as spintronics, optoelectronics, photovoltaics . However, the scope of these new materials is still limited. Herein, we present new 2D hybrid perovskites based upon chiral α-amino acid L-histidine.

Cooperative Spin Crossover above Room Temperature in the Iron(II) Cyanoborohydride-Pyrazine Complex.

Hysteretic spin crossover in coordination complexes of 3d-metal ions represents one of the most spectacular phenomena of molecular bistability. In this paper we describe a self-assembly of pyrazine (pz) and Fe(BHCN) that afforded the new 2D coordination polymer [Fe(pz)(BHCN)]. It undergoes an abrupt, hysteretic spin crossover (SCO) with a of 338 K (heating) and 326 K (cooling) according to magnetic susceptibility measurements.

Synthesis and crystal structure of hydrated μ-oxa-lato-bis-{bis-[3-methyl-5-(pyridin-2-yl)-1-1,2,4-triazole]iron(II)} bis-(toluene-sulfonate) 2.75-hydrate.

In the title compound [Fe(CO)(CHN)](CHCHSO)·2.75HO, the two Fe ions have a highly distorted octa-hedral FeNO environment formed by two bidentate triazole-based chelating ligands and a bis-bidentate oxalate bridging anion that connects the metal ions. Stabilization within the crystal structure is provided a system of O-H⋯O and N-H⋯O hydrogen bonding, which determines the formation of a two-dimensional architecture along the axis direction.

A Vanadium Dioxide-PMMA Composite For Microwave Radiation Switching.

Reconfigurable radio-frequency components are in high demand for modern communication systems as they can be involved in multiband and multistandard electronic devices. The key part of such components is an active switching element. This work offers a way to obtain an efficient microwave switch using vanadium dioxide-poly (methyl methacrylate) composite.

Four-Step Spin Crossover in a New Cyano-Bridged Iron-Silver Coordination Polymer.

Spin-crossover complexes with multistep transitions attract much attention due to their potential applications as multi-switches and for data storage. A four-step spin crossover is observed in the new iron(II)-based cyanometallic guest-free framework compound Fe(2-ethoxypyrazine) {Ag(CN) } during the transition from the low-spin to the high-spin state. A reverse process occurs in three steps.

Aziridinium cation templating 3D lead halide hybrid perovskites.

This study describes the synthesis of the first aziridinium-based compounds, namely hybrid perovskites (AzrH)PbHal (where AzrH = aziridinium, Hal = Cl, Br or I). This highly reactive species was stabilized in 3D lead halide frameworks and was found to be a small enough organic cation to promote the formation of semiconducting organo-inorganic materials.

Crystal growth, layered structure and luminescence properties of KEu(PO)(WO).

KEu(PO)(WO) has been prepared the high-temperature solution growth (HTSG) method using KWO-KPO molten salts as a self-flux and characterized by single-crystal X-ray diffraction analysis, IR and luminescence spectroscopy. The structure of this new compound features a 2D framework containing [EuPO] layers, which are composed of zigzag chains of [EuO] interlinked by slightly distorted PO tetrahedra. Isolated WO tetrahedra are attached above and below these layers, leaving space for the K counter-cations.

Crystal structure of poly[[di-aqua-tetra-μ-cyanido-platinum(II)iron(II)] methanol 4/3-solvate]: a three-dimensional Hofmann clathrate analogue.

In the title polymeric coordination compound, {[FePt(CN)(HO)]·1.33CHOH} , the Fe cation (site symmetry 4/) is coordinated by the N atoms of four cyanide anions (CN) and the O atoms of two water mol-ecules, forming a nearly regular [FeNO] octa-hedron. According the Fe-N and Fe-O bond lengths, the Fe atom is in the high-spin state.

1D iron(II)-1,2,4-triazolic chains with spin crossover assembled from discrete trinuclear complexes.

We report on a molecular cationic iron(II) complex with a 4-amino-1,2,4-triazole ligand and a tetraiodomercurate anion exhibiting an incomplete spin crossover (SCO). The complex exhibits an unusual disordered structure with a linear arrangement of ligand and water molecules that can potentially accommodate up to four iron atoms, but both terminal metal positions have half chemical occupancies, while occupancies of all ligands are full. This corresponds to the crystallisation of disordered trinuclear complexes arranged into 1D supramolecular chains.

Two-Step Spin Crossover in Hofmann-Type Coordination Polymers [Fe(2-phenylpyrazine){M(CN)}] (M = Ag, Au).

Two 2D Hofmann-type complexes of the composition [Fe(Phpz){M(CN)}] (where Phpz = 2-phenylpyrazine; M = Ag, Au) have been synthesized, and their spin-crossover (SCO) behavior has been thoroughly characterized. Single-crystal X-ray analysis reveals that these complexes contain a crystallographically unique Fe(II) center surrounded by two axial Phpz ligands and four equatorial cyanide [M(CN)] bridges. It is shown that, using of a ligand with two aromatic rings, an advanced system of weak supramolecular interactions (metal-metal, C-H···M, and π···π stacking contacts) is realized.

Crystal structure of 9-amino-acridinium chloride ,-di-methyl-formamide monosolvate.

9-Amino-acridinium chloride ,-di-methyl-formamide monosolvate, CHN Cl·CHNO, crystallizes in the monoclinic space group 2/ The salt was crystallized from ,-di-methyl-formamide. The asymmetric unit consists of two CHN Cl formula units. The 9-amino-acridinium (9-AA) mol-ecules are protonated with the proton on the N atom of the central ring.

Spin crossover in iron(II) Hofmann clathrates analogues with 1,2,3-triazole.

Hofmann-like cyanometallic complexes represent one of the biggest and well-known classes of FeII spin-crossover compounds. In this paper, we report on the first FeII Hofmann clathrate analogues with unsubstituted 1,2,3-triazole, which exhibit temperature induced spin transition. Two new coordination polymers with the general formula [FeII(1,2,3-triazole)2MII(CN)4] (M = Pt, Pd) undergo abrupt hysteretic spin crossover in the range of 190-225 K as revealed by magnetic susceptibility measurements.

Crystal structure of -poly[[[di-aqua-[1,2-bis(pyridin-4-yl)ethene]{4-[2-(pyridin-4-yl)ethen-yl]pyridinium}gold(I)iron(II)]-di-μ-cyanido] bis-[dicyanido-gold(I)] 1,2-bis-(pyridin-4-yl)ethene dihydrate].

In the title compound [Fe(bpe)(Hbpe)Au(CN)][Au(CN)]·bpe·2HO} [where bpe = 1,2-bis-(pyridin-4-yl)ethene, CHN], the Fe ion is coordinated in a distorted octa-hedral [FeNO] environment by two di-cyano-aurate anions, two water mol-ecules and two partially protonated 1,2-di(4-pyrid-yl)ethyl-ene mol-ecules. Di-cyano-aurate anions bridge the Fe cations, forming infinite chains, which propagate along the axis direction. The chains are connected aurophilic inter-actions with two non-coordinated di-cyano-aurate anions for each Fe ion.

Tunable microwave absorption of switchable complexes operating near room temperature.

Materials that are able to switch microwave radiation are strongly desired for their potential applications in electronic devices. In this paper, we show the spin-dependant interaction of spin-crossover materials with microwave radiation, namely, the ability of coordination compounds [Fe(NHtrz)]Br and [Fe(NHtrz)](NO) that undergo a cooperative spin transition between low-spin and high-spin states to operate as thermoswitchable microwave absorbers. The characteristics of the microwave reflection and transmission of these spin-crossover complexes were investigated at variable temperatures.

Hofmann-Like Frameworks Fe(2-methylpyrazine)[M(CN)] (M = Au, Ag): Spin-Crossover Defined by the Precious Metal.

Hofmann-like cyanometalates constitute a large class of spin-crossover iron(II) complexes with variable switching properties. However, it is not yet clearly understood how the temperature and cooperativity of a spin transition are influenced by their structure. In this paper, we report the synthesis and crystal structures of the metal-organic coordination polymers {Fe(Mepz)[Au(CN)]} () and {Fe(Mepz)[Ag(CN)]} (), where Mepz = 2-methylpyrazine, along with characterization of their spin-state behavior by variable-temperature SQUID magnetometry and Mössbauer spectroscopy.