Over the last years particular attention was paid to phosphate materials in different fields. In the present study, the single crystal MnHPO4 & sdot;3H2O synthesized by the wet process, is characterized by single crystal (XRD), MEBEDX, IR-Raman and DTA-TGA analyses for application in electrochemistry field. This material crystalized in the orthorhombic system of space group Pbca (Z=8), and parameters: a = 10.2189(5) & Aring;, b = 10.4226(6) & Aring;, c = 10.8653(6) & Aring;; alpha = beta = gamma = 90 degrees Its layered crystal structure consists of isolated MnO6 octahedra linked by (HPO4)2- and H2O groups, to form chains stacked along b-axis. In this structure, the manganese cation Mn2+ is placed in an octahedral environment, surrounded by six oxygen atoms provided by three (HPO4)2- groups and three water molecules, which suggests useful red luminescence propreties. Morphology, homogeneity and composition analyzed using the scanning electron microscope coupled with energy dispersive X-ray (SEM-EDX), confirms the purity of the crystallin studied phase. The Hirshfeld surfaces analysis showed the O...H/H...O (62.7%) and H...H (25.5 %) as the important intercontact in stabilizing the MnHPO4 & sdot;3H2O crystal packing cohesion. FTIR and Raman vibrational study was performed by theoretical group analysis based on C1 and D2h as the site and factor groups for (HPO4)2- groups and H2O molecules, where the (HPO4)2- vibrational modes (C3v) are correlated to the orthophosphate (PO4)3- vibrations in Td symmetry. Coupled DTA-TGA measured in heating showed the dehydratation processus of MnHPO4 & sdot;3H2O material, held mainly near 145 degrees C, which confirmed that the removed water molecules are that of crystallization in agreement with X-ray results. The electrochemical study investigated for the corrosion inhibition of mild steel in HCl 1 M medium, showed that this material has an important performance of inhibition, reaching a percentage of 92% at 10-3M of inhibitor and a temperature of 298 K. The higher activation energy Ea observed with the addition of the inhibitor is due to the incorporation of the phosphate inhibitor that helps raise the energy barrier associated with corrosion process, and then inhibit the degradation of mild steel.

The present study develops an innovative procedure for the synthesis of tetrahydrobenzo[b]pyrane derivatives using a novel Barium phosphate-based material of Yavapaiite structure-type (C2/m, Z = 2), Ba(Sb0.5In0.5)(PO4)2, as an efficient, recyclable, and eco-friendly heterogeneous catalyst, recently synthesized by a simple solid-state reaction method. Hirshfeld surface analyses showed that the non-covalent intercontacts Ba…O/O…Ba and Sb…O/O…Sb contributes largely to stabilizing the crystal packing of the studied catalyst. Besides, the presence of active sites such as Sb5+ and the crystal lattice stability allowed this material to prove a highly effective and recyclable heterogeneous catalyst for the one-pot multicomponent condensation synthesis of tetrahydrobenzo[b]pyran derivatives from aromatic aldehydes, malonitrile, and dimedone under environmentally friendly conditions. The structural characteristics and chemical composition stability of the fresh and recycled catalyst were studied using powder (XRD), Infrared-Raman spectroscopy, and SEM-EDX techniques to demonstrate the durability and stability of this material as a heterogeneous catalyst after five used cycles. The innovative catalytic procedure using a yavapaiite material as a catalyst has several advantages, such as its operational simplicity, short reaction times, high yields, low catalyst requirements, and easy recovery and reuse at high yields after five cycles. The efficiency and high yields (90–98%) achieved in the optimal conditions (2 mg; 12–30 min in 2 mL EtOH) of Tetrahydrobenzo[b]pyrane derivatives synthesis using Ba(Sb0.5In0.5)(PO4)2 are compared to other methods using different catalysts, which highlight the potential of this yavapaiite-type phosphate as an effective and sustainable catalyst for the green synthesis of heterocyclic compounds of pharmaceutical and medicinal interest.

The strontium dihydrogen phosphate Sr(H2PO4)2 was prepared by slow evaporation technique at room temperature. The single-crystal XRD showed this compound crystallized in the triclinic centrosymmetric space group P-1 (Z=2) [a=6.7232(3) Å, b=7.0780(4) Å, c=7.7701(4) Å, α=104.210(5)°, β=96.864(4)°, γ=109.738(5)°] with 3D-layered structure consisting of arranged H2PO4- tetrahedral anions, delimiting large deformed cavities occupied by strontium cations. The infrared and Raman spectra of Sr(H2PO4)2 are assigned based on literature data and theoretical group analyses made in Ci factor group. Hirshfeld analysis allowed to quantify the interactions in Sr(H2PO4)2 crystal packing surface in terms of dominant non-covalent contacts O…Sr (30.5%) and O…H (30.3 %) against O…O (19 %) and H…H (18.6 %) covalent intercontacts. Various theoretical methods were used to examine the material effecticiency in inhibition and optoelectronic fields. The molecular structure, energetic properties and stability were optimized using molecular DFT/B3LYP/LanL2DZ and solid-state DFT (GGA-PBE/CASTEP) methods. The band gap (6.816 eV) obtained by DFT (B3LYP/LanL2DZ) represents discrete, localized molecular orbitals, while the 5.5 eV direct band gap energy estimated from solid-state DFT (GGA-PBE/CASTEP) at high symmetry points (Γ–F–Q–Z–Γ) of Brillouin zone showed continuous, delocalized bands in a solid crystal state, and then indicate low reactivity and excellent stability of Sr(H2PO4)2. The crystal lattice volume relative to the minimum energy state was calculated using CASTEP module integrated into the BIOVIA program. The good adsorption on the steel substrates Fe (110), Al(110), Cu(110) in 1 M HCl solution suggest this crystal as a optimal candidate inhibitor for corrosion applications.

A series of yavapaiite-type phosphates BaTi(1-2x)SbxCrx(PO4)2 (0 <= x <= 0.5), was synthesized via solid-state reactions across divers fractions x, and studied by X-ray diffraction, Infrared, Raman UV-visible, and color (CIEL*a*b*) analyses. These compounds crystallize too in the monoclinic space group C2/m (Z = 2), with yavapaiite structure type and comparable units' cell parameters. The structure type consists of layers, arranged parallel to (a, b) plane, and formed by corner-connected Ti(Sb/Cr)O6 octahedra and PO43- tetrahedra groups. Rietveld refinements showed that the substitution of Ti4+ by Sb5+ and Cr3+ cations did not change the yavapaiite crystal structure symmetry, lattice parameters, bond lengths, and angles in studied (0 <= x <= 0.5) compositions. Specifically, the parameters increase very slightly as x increased from 0 to 0.5 without changing the yavapaiite structure-type. The SEM-EDX high-resolution images showed the formation of divers agglomerated particles with grain boundary and different sizes, and confirmed the presence of expected elements for all studied compositions (0 <= x <= 0.5). Hirshfeld surface and Fringplots analyses made on BaTi(PO4)2 crystal structure (x = 0), highlited that Ba center dot center dot center dot O/O center dot center dot center dot Ba (39.5 %) and O center dot center dot center dot O (32.1 %) are the important intercontacts contributors in the BaTi(PO4)2 crystal packing. Infrared and Raman spectra recorded at room temperature revealed characteristic bands of the PO43- tetrahedra groups, with slight changes in frequencies positions and intensities with varying the x fractions. The UV-visible absorption spectra showed the effect of Sb/Cr substitution on the optical band gap. Direct band gap values are estimated at 3.62 eV for (x = 0) and around 2.64 eV for (x = 0.1-0.5), indicating a semiconducting behavior of the substituted materials in the studied composition range. The partial substitution of Ti4+ with Sb5+/Cr3+ affects the optical properties of BaTi(1-2x)SbxCrx(PO4)2 (0 <= x <= 0.5) in the way that modifying the Sb/Cr content can remarkably reduce the optical band gap.

Novel hybrid materials NH3CH2CHCH3NH3ZnBr4H2O (abbreviated ZnBr) and NH3CH2CH(NH3)CH3BiCl5 (BiCl) were synthetized based on common propane-1,2-diammonium cation, and characterized by single-crystal X-ray diffractions, Hirshfeld surfaces, BFDH morphology, DSC, and Infrared-Raman analyses. The ZnBr material cristallized in orthorhombic space group P212121 (Z = 4) [a = 7.7771(2) & Aring;, b = 11.6489(3) & Aring;, c = 13.8578(4) & Aring;, V = 1255.44 & Aring;3] with a layered structure containing alternating +NH3CH2CHCH3NH3+ cations and tetrahedral ZnBr42- anions, where Zn is coordinated to four Br atoms. The orthorhombic BiCl structure of space group Pca21 (Z = 8) [a = 19.8403(7) & Aring;, b = 6.3303(2) & Aring;, c = 19.0314(7) & Aring;, V = 2390.25(14) & Aring;3] consists of Bi2Cl104- dimers formed by Bi1Cl63- and Bi2Cl52- sharing Cl6 corner. The crystals morphologies and stereoscopic projections are predicted in the Laue symmetry (222) of ZnBr and (mm2) of BiCl. Hirshfeld surfaces analyses showed attractive H & mldr;Br/Br & mldr;H intercontacts (84.1%) more important than detractive H & mldr;H intercontacts (11.1%) in ZnBr crystal, as well in BiCl sample with H & mldr;Br/Br & mldr;H (74.1%) and H & mldr;H (11.9%). DSC analyses showed a probable ZnBr compound dehydration between 108 and 125 degrees C, followed by a decomposition process held between 125 degrees and 173 degrees C. The DSC endothermic pick observed at 190 degrees C for BiCl compound is due to a continuous phase transition. The Infrared and Raman spectra are discussed in terms of C1 site-symmetry as well as for cations +NH3CH2CHCH3NH3+ and anions ZnBr42-/BiCl104- vibrational modes.

Zero-dimensional (0D) organic-inorganic metal halides have garnered widespread attention for their exceptional chemical tunability and promising potential in optoelectronic applications. In this work, a novel (0D) organic-inorganic hybrid compound, named bis-2-amino-4-methylpyridinium hexa-chlorostannate (denoted (2A4P)2SnCl6), was successfully synthesized via the slow evaporation method at room temperature. X-ray diffraction analysis of both single crystals and powder samples revealed a pure monoclinic structure with a P21/c space group. The Hirshfeld surfaces analysis indicates that H & ctdot;Cl/Cl & ctdot;H intercontact contributed significantly (68.2 %) to the (2A4P)2SnCl6 crystal packing. The crystal morphology is predicted from Laue (2/m) and space group (P21/c) symmetries of (2A4P)2SnCl6), which showed the screw axis (21) effect on the Importance morphology facets. The thermal stability was evaluated through DSC heating analysis, and TG measurements showed that the compound remains stable up to 470 K. In contrast, the electrical properties were investigated using complex impedance spectroscopy (CIS), revealing significant dependence on both frequency and temperature, indicating the presence of a relaxation phenomenon and semiconductor-like behavior. The activation energy for the studied compound is determined using Arrhenius's formula based on DC conductivity, which found to be 0.69 eV. The alternating current conductivity (sigma ac) follows Jonscher's power law. Fitting the sigma ac curves indicates that the dominant transport mechanism is the correlated barrier hopping CBH model. Overall, the research sheds light on the synthesis, crystal arrangement, and analysis of charge transfer mechanisms in this novel semiconductor, emphasizing its electronic potential.

The synthesis and structural study of three new Ba2SbM(PO4)4 (M = Sc and Yb) phosphates, abbreviated as [Sc] and [Yb], were prepared by solid state reaction in air atmosphere and their structures has been solved ab initio by Rietveld analysis. The three phases crystallize in the Yavapaiite structure with C2/m space group (Z = 2), with cell parameters a = 8.292(1) Å; b = 5.234(3) Å c = 7.878(7) Å and β = 93.81(1)° for [Sc], and a = 8.345(1) Å; b = 5.265(3) Å c = 7.977(3) Å and β = 94.22(1) ° for [Yb].

The Organic-inorganic hybrid compounds have attracted considerable attention for their scientific and technological potential according to their wide field application. In this paper, we describe the preparation of a new hybrid crystal, with the structural formula [C6H9N2]2SnCl6, of which crystallographic, BFDH morphology, Hirshfeld and complex impedance spectroscopy have been studied and analyzed. The X-ray diffraction analysis revealed that the title compound crystallized in the centrosymmetric space group P21/c of the monoclinic system. The powder XRD is used to confirm the phase purity of the sample and the crystalline nature of the powder. The [C6H9N2]2SnCl6 crystal morphologies are simulated from the Laue symmetry (2/m), and from the space group symmetry (P21/c), which highlighted the effect of the screw axe 21 and the glide plane c in reducing the Importance morphology in the constructed model considering the space group symmetry. The intermolecular interactions studied using Hirshfeld surfaces showed the important contribution of HMIDLINE HORIZONTAL ELLIPSISCl/ClMIDLINE HORIZONTAL ELLIPSISH intercontacts (67.1 %) in the [C6H9N2]2SnCl6 crystal packing. The analysis of real and imaginary parts impedance spectra shows that the electrical properties are heavily dependent on frequency and temperature, indicating a relaxation phenomenon and semiconductor-type behavior. The Nyquist plot (-Z '' vs Z ') showed only one semicircular arc, representing the grain effect in the electrical conduction. The obtained results were analyzed by fitting the experimental data to an equivalent circuit model R/CPE/C. The Alternating current conductivity (sigma AC) follows Jonscher's power law. The latter confirmed that the conduction is insured by the non-overlapping small polaron tunneling model (NSPT) model, which has been studied in depth.

This paper reports the synthesis, structure, BFDH crystal morphology, Raman and Infrared spectroscopic studies of three novel metal orthophosphate salts M-II(Ga0.5Sb0.5)(PO4)(2) (M-II= Sr, Pb, Ba), abbreviated [Sr], [Pb], [Ba]. The structures of these phases are refined from X-ray powder diffraction data by the Rietveld method. The yavapaiite [Ba] phase is monoclinic of C2/m space group [Z=2; a= 8.106(4) angstrom; b= 5.178(3) angstrom c= 7.806(1) angstrom, beta=94.79(4)degrees, V= 327(1) angstrom(3)]. Its structure consists of layers, running along the (a, b) plane, and built up of corner-connected Ga(Sb)O-6 octahedra and PO43- tetrahedra. The two isotypic phases [Sr]/[Pb] of distorted yavapaiite structure crystallize in the monoclinic C2/c space group (Z=4) with parameters: a=16.455(4)/16.622 (7) angstrom; b=5.158(1)/5.163(2) angstrom c= 8.005(1)/8.067(3) angstrom; beta=115.49(1)/114.85(2)degrees, V= 613(1)/628(5) angstrom(3). Their structures consist of MO10 (M= Sr, Pb), PO43- tetrahedra and Sb(Ga)O-6 octahedra. In [Pb] phase, the Pb is surrounded by eight oxygen atoms (Pb-O: 2.65-2.77 angstrom) and two oxygen atoms forming abnormal bond distances Pb-O(4) [3.447(3)angstrom]. The BFDH crystal morphology predicts hight (h k l) facets for each compound, the center-to-plane distances d(hkl) are slightly strong in the distorted Yavapaiite [Pb/Sr] rather than in [Ba]. The IR and Raman study is performed based on theoretical group analysis considering C-s site symmetry of PO43- groups in [Ba], and C-i symmetry in [Pb]/[Sr] phases. The assignment and discussion of the observed bands were done by comparison with other yavapaiite materials. The UV-visible investigation reveals direct optical gap energies of values 4.16 eV for [Ba] and 4.24 eV for [Sr], indicating a semi-conducting nature of the prepared materials.

The present paper reports on synthesis method, X-ray diffraction, DSC, Infrared and Raman spectroscopy studies carried out on [(CH3)4N]3Bi2Cl9. The structure of this hybrid material is refined by the Reitveld method in the space group P63/mmc (Z = 2), with unit cell parameters: a = 9.2581(2) Å, c = 21.9223(6) Å, V = 1627(1) Å3. It consists from isolated Bi2Cl93- dimer anions composed of two distorted octahedra BiCl63- sharing three chlorine atoms' face, and three disordered cations (CH3)4N+, forming an organic–inorganic network. There are two disordered cations types: one cation totally disordered with N(1) atom placed in special Wyckoff positions (2b) of (-6m2) site symmetry, and Carbon atoms C1 and C2 are three-fold disordered; the two others cations N(2) observed on special positions (4f) of site symmetry (3 m) are partially disordered, with C4 atom is three-fold disordered and C3 atom is ordered. The BFDH crystal morphology predicted from the Laue symmetry (6/mmm) gives hight faces characterized by two faces indices, with their center-to-plane distance dhkl and their growth rates. The simulated model from the space group symmetry (P63/mmc) gives three < h k l > faces indices, which highlights the screw axis 63 and the glide plane c effects in reducing the Importance morphology. The DSC analysis showed that the compound undergoes a reversible phase transition at 74 °C/69 °C (heating/cooling). The Infrared-Raman spectra are studied based by developing theoretical vibrations modes of cations and anions in the crystal; the study confirms the presence of (CH3)4N+ cations and Bi2Cl93- anions, which are linked by CH….Cl hydrogen bonding types.

Hybrid perovskite crystals NH3(CH2)nNH3MCl4 (M: Co, Mn, and n = 4, 5, 9), abbreviated CnMCl studied elswhere are investigated in terms of structural analysis, DSC, Infrared, and UV-visible spectroscopy properties. The structures of these salts are compared in terms of parametrs and space groups relationship symmetry. BFDH (Bravais-Fridel, Donnay-Harker) crystals morphologies are simulated using the units cell parametres and Laue symmetries of NH3(CH2)nNH3CoCl4 (n = 4, 9) of space group P-1 (Z = 2), NH3(CH2)5NH3MnCl4 considered in I212121 (Z = 4) and Imma (Z = 4) space groups, and NH3(CH2)9NH3CoCl4 (P21/c, Z = 4). DSC analyses showed that C4CoCl salt presents two continuous phase transitions at heating/cooling (321/320 K) and (309/295 K), while the C9CoCl salt did not present any phase transition between 310 and 400 K. The C5MnCl salt undergoes two continuous reversible phase transitions at heating/cooling (287/285 K) and (295/325 K); the thermal behavior of this salt is discussed in respect to the phase transition observed elswhere at 298 K. Infrared spectra of C4CoCl and C5MnCl compounds are discussed at different temperatures (80-352 K) regarding their DSC thermal behaviors. Far-Infrared spectra are discussed for CoCl42- and MnCl42- vibrational anions in CnCoCl (n = 4, 9) and CnMnCl (n = 5, 9) crystals based on theoretical group analyses. The UV-visible optical absorptions (300-1500 nm) revealed low bands gap for C4CoCl (1.80 eV) and C9CoCl (1.77 eV), suggesting these cobalt salts as good conductors for photovoltaic applications and solar cells, and good absorber materials with energies gap under 2 eV.

The present paper reported and studied the catalytic performance of a new hybrid crystalline material (Organic-Inorganic) NH3(CH2)7NH3BiCl5 in the synthesis of 3,4-dihydropyrano [3,2-c] chromenes deriva-tives, through condensation transformation between different aromatic aldehydes, malononitrile and 4-hydroxycoumaine in ecologic conditions. Indeed, 3,4-dihydropyrano [3,2-c] chromenes derivatives synthe-sized have characterized and confirmed with FTIR, NMR and elementary analysis (EA), respectively. These derivatives were obtained with excellent yields (91-98%) at 78 degrees C, 5 mg of NH3(CH2)7NH3BiCl5 and 2 mL of ethanol as solvent, respectively. The current catalyst can be used in other chemical reactions with mul-tiple biological and pharmaceutical interests, apart from the speed, and excellent yields obtained during this work, the positive aspects of our catalyst lie in their ease of handling, regeneration, and reuse as well as in the absence of their dangers on the environment. (c) 2023 Elsevier B.V. All rights reserved.

Rare-earth substituted multiferroic Bi1-xRExFeO3 powders with chemical compositions (x = 0.05, 0.15, 0.20 and RE = Nd3+; Eu3+) are synthesized by sol-gel method. The powder X-ray diffraction results manifest that samples are in single phase (R3c) for x < 0.15; the structural phase transformation from the distorted perovskite R3c to the ideal perovskite (Pm3 m) was made for BFO-Nd at x = 0.15 and for BFO-Eu (BEFO) at x = 0.20. Theoretical analyses allowed us to propose & UGamma;4 (k = 0, 0, 0) as the irreducible representation associated to the distortion of the ideal perovskite Pm3 m to the R3c distorted one, where the displacement of Fe atom along [0 0 1] axis is considered as so the parameter order & eta; = (0; 0; & eta;3), which drives the transition Pm3 m -R3c. Dielectric properties of Bi1-xRExFeO3 change noticeably with concentration and nature of RE-doping. The increase of Nd and Eu concentration decreases clearly the dielectric temperature anomalies corresponding to the ferroelectricparaelectric phase transitions, which are more shifting towards lower temperature when the dopant is Eu. Magnetic measurements indicate that antiferromagnetic BFO-Nd (BNFO) powders became ferromagnetic at (0.15 & LE;x & LE; 0.2), while the BFO-Eu (BEFO, x & LE; 0.15) compounds, antiferromagnetic with a small remanant magnetization, become weak ferromagnetic when x = 0.20.

Abstract This paper aims to review recent advances on synthesis, crystal structures, thermal, spectroscopic, phase transitions, optical, dielectric, and catalysis properties of hydrate and anhydrous alkylenediammonium halogenometallates materials (Metal: Bi, Sb, Halogen: Cl, Br, I). These hybrid materials present rich structural diversities based on octahedra forming infinite zero dimensional, 1-dimensional chains, 2-dimensional layers, discrete bioctahedra, and discrete tetramer units. The effect, contribution and importance of hydrogen bonding N–H … X (X: Cl, Br, I) are reviewed in terms of solid state relationship. Particularly, a comparative study is made on hydrate and anyhdrous aliphatic chlorobismuthates with alkylenediammonium +NH3(CH2) n NH3 + based on structural data and V/Z variation with (CH2) n chains (n = 2–8, 12), and variation of BiCl6 3− Raman frequencies modes versus (CH2) n chains (n = 3–8). Hydrate salts with (n = 3, 12) consist of isolated BiCl6 3− anions and two water molecules, against others ones with isolated anionic chains [BiCl5 2−] n or Bi2Cl10 4− dimers, formed by distorted octahedra BiCl6 3− sharing corners, vices or edges. The reviewed optical and electronic band gaps suggested interesting compounds with band gaps (1.85–2.4 eV), as suitable materials in optoelectronic properties, photoactive layer in solution-processed photovoltaics, and bio-imaging or photovoltaic applications. It was concluded that iodobismuthate salts have generally the lowest bands gap, compared to that of bromo and chlorobismuthate slats. Catalysis proprieties are reviewed n fast (RhB) degradation under dark conditions for (C4N2H7)4Bi2Cl10, (C5H9N2)BiI4, and {(H-BPA)4·[(BiI6)I13]·2I3} n , and in organic salts synthesis under solvent-free conditions. Herein NH3(CH2) n NH3BiCl5 (n = 5–7) salts were used as highly efficient catalysts, which is a novel tendency in chlorobismuthate researchs in the green chemistry field.

In this paper, a novel low-dimensional Ni(II)-based hybrid perovskite compound [(C3H7)4N]Ni2Cl6 endowed with interesting solid-state light-emission properties has been investigated using thermal (TGA-DSC), Hirshfeld surfaces, FT-Infrared spectroscopy, optical and photoluminescence measurements. The structure packing consists of 0D framework ascribed as a layered arrangement of organic and dimeric [Ni2Cl6]1- groups perpendicular to the crystallographic c axis and stabilized by means of weak intermolecular bonds yielding a 3D framework. The UV-visible investigation reveals a direct optical gap energy of value 3.72 eV, confirming the semi-conducting nature of the elaborated material. The photoluminescence properties reveals a greenish broad-band emission caused by self-trapped excitonic states (STESs) as well as the remarquable the inorganic tetrahedron distortion in the 0D crystal dimensionality. Such bright light emission yields to good luminescence properties with a very high CRI value of 96, CIE color coordinates of (0.32; 0.35), and a CCT value of 5722 K and. The Stokes shift between excitation wavelengths (325, 345, 375, 395 nm) and their corresponding emission bands (450, 460, 472, 480 nm) are discussed. The current findings could be used for the development of environment-friendly hybrid perovskites for UV and solar cell applications.

Three 2D hybrid perovskite materials based on long chain diammonium NH3(CH2)9NH3MCl4 (M: Mn, Co, Cu) were prepared and characterized. The single crystal X-ray diffraction analysis showed that the novel compound NH3(CH2)9NH3MnCl4 (denoted C9Mn) crystallized in the monoclinic P21/c (Z = 4) with the unit cell parameters a = 7.405(3) A, b = 7.102(3) A, c = 29.463(11) A, V = 1538.07 A3. The NH3(CH2)9NH3CoCl4 (C9Co) was found to crystallize in the Triclinic space group P over line 1 [Z = 2; a = 7.3113(4) A, b = 10.2373(5) A, c = 12.4701(9) A; alpha = 112.323(2) degrees, beta = 92.441(2) degrees, gamma = 93.452(3) degrees, V = 859.68(9) A3]. The C9Mn and C9Co layered structures contain alternating organic cations +NH3(CH2)9NH3 + and inorganic anions MCl4 2-(M: Mn, Co), where M is coordinated by six Cl atoms in the octahedral topology MnCl6 2 -, and by four Cl atoms in the tetrahedral CoCl4 2 - unassociated unit. The NH3(CH2)9NH3CuCl4 (C9Cu) crystal quality is not good to do the single crystal X-ray diffraction analysis on this salt. The Hirshfeld surface analyses are performed to compare the importance of attractive H...Cl/Cl...H and detractive H...H intercontacts in the two hybrid compounds. The vibrational modes of alkylenediammonium group of C9Cu, clearly observed in the infrared spectrum, are compared to that observed in the C9Mn and C9Co spectra, discussed based on theoretical group predictions. Analysis was performed at the X-ray absorption fine structure XAFS/XRF beamline to enhance the structure analysis for the salts C9Mn, C9Co and C9Cu.(c) 2022 Elsevier B.V. All rights reserved.

The present study's purpose is to develop and improve a few reactions that are considered simple, more effective, cleaner, and less costly. In fact, a new (Inorganic-Organic) hybrid single-crystal tetramethylammonium hexa-fluorosilicate [(CH3)4N]2SiF6, as a heterogeneous ecological catalyst was used, which is found to be effective for the synthesis of tetrahydro-11H-benzo[a]xanthen-11-one via condensation of aromatic aldehydes, beta-naphthols with dimedone in EtOH an reflux. The product synthesised were analysed and confirmed by melting point and different spectroscopic techniques FT-IR, 13C NMR, 1H NMR and Elemental Analysis. Furthermore, under ideal conditions of 3.44 mol% [(CH3)4N]2SiF6 and 2 ml EtOH as eco-solvent at reflux, these diverse compounds were produced in outstanding yields in very short durations. The tetramethylammonium hexafluorosilicate shows very high stability and durability for each reuse.

The utilization of the heterogeneous catalysts has become a vital way in organic synthesis and the production of the desired product with a higher yield more than the traditional synthesis. In the current paper a green effective approach have madden for the synthesis of two families 2,3-dihydroquinazolin-4(1H)-ones and 2, 4,5-triaryl-1H-imidazoles in the presence of hybrid monocrystal in durable conditions at reflux (80 degrees C). The synthesized products were characterized by FT-IR, H-1 NMR, C-13 NMR, and elemental analysis. This approach has several advantages such as short reaction times, excellent yields of synthesized products, mild conditions, simplicity of handling, and ease of product insulation. In addition, (N2H5)(2)SiF6 can be recycled up to five times without a significant loss of catalytic reactivity.

Organic-inorganic hybrid perovskites NH3(CH2)(n)NH3CoCl4 (n = 4, 9) single crystals are prepared by solution precipitation method. Single crystal X-ray diffractions are performed. Both compounds crystallized in the centrosymmetric triclinic P-1 (Z = 2) space group; the determined parametrs for the novel salt NH3 (CH2)(9) NH3CoCl4 are: a = 7.3113(4) angstrom, b = 10.2373(5) angstrom, c = 12.4701(9) angstrom; alpha= 112.323(2)degrees, beta= 92.441(2)degrees, gamma= 93.452(3)degrees, V = 859.68(9) angstrom(3). The structure consists of the anions CoCl42- which form unassociated zero dimensional tetrahedral structure resemble to quantum dot show alternating up and down orientations relative to the c-axis that are sandwitched between layers of the diammonium organic chains. Hydrogen bonds N-H center dot center dot center dot Cl are connecting organic and inorganic layer. The Hirshfeld surface analyzes are performed to compare the importance of hydrogen bonding contacts in the two hybrid compounds. The V/Z ratio on linear evolution versus n, number of CH2 groups in organic chains (n = 3-9) presents a minimal value at n = 5, corresponding to monoclinic symmetry of NH3(CH2)(5) NH3CoCl4. Besides, the vibrational modes analyzes are developed based on the theoretical group method considering the structural data obtained on +NH3 (CH2)(n) NH3+ cations and CoCl42- anions. This to study the characteristic bands observed at room temperature in Infrared (250-4000 cm(-1)) and Raman (50-500 cm(-1)) spectra of these compounds. (C) 2021 Elsevier B.V. All rights reserved.