Synthesis, crystal structure and photocatalytic studies of new oxyfluoride Cu5AsO5F5

Sen, Buddhadev; Paul, Sayantani; Das, Sangita; Chattopadhyay, Asoke P.; Ali, Sk Imran

doi:10.1016/j.molstruc.2023.135610

Cited by 8 publications

(3 citation statements)

References 73 publications

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“…At the initial step, 2.2 wt % mass loss at a temperature less than 100 °C indicates the removal of physically adsorbed water that most likely originated from the moisture adsorbed on the sample. The second weight loss of about 11.3% found in the temperature range 450–550 °C is due to the evaporation of fluorine gas (F 2 ). − The third mass loss of about 32.6 wt % observed at temperatures ranging from 660 to 800 °C is attributed to the loss of Ni 0.779 O and SO 2 . The overall analysis suggests that 50% of the weight remains as a residue, which corresponds to the formation of the SbOF compound.…”

Section: Resultsmentioning

confidence: 92%

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni_0.779SbF₃(SO₄): A New Electrode Material for Electrochemical Supercapacitors

Das,

Paul,

Sen

et al. 2023

Crystal Growth & Design

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A new transition-metal-based antimony fluoride sulfate compound, Ni 0.779 SbF 3 (SO 4 ), has been studied, which appears to be a promising candidate for an electrode material in supercapacitor devices. The hydrothermal synthetic technique has been employed for growing single crystals. The single-crystal X-ray diffraction study reveals that it crystallizes in the orthorhombic space group Cmce with unit cell parameters a = 15.1710 ( 3) Å, b = 7.1843 (11) Å, and c = 11.070 (17) Å and Z = 8. The crystal structure consists of a [SbF 3 O 2 ] polyhedron and a [SO 4 ] tetrahedron along with cis-and trans-[NiO 4 F 2 ] octahedrons of two different Ni atoms that result in negatively charged [NiSbF 3 • SO 4 ] n layers in the crystal structure, where each layer is made up of chains of [Ni(1)O 6 F 2 ] n , [Ni(2)O 8 F 2 ] n , and [(SbF 3 ) 2 (SO 4 ) 2 ] n4− . The partial occupancy on Ni sites resulted in the compound being nonstoichiometric. The morphological analysis by both scanning electron microscopy (SEM) and tunneling electron microscopy (TEM) reveals a multilayer dense nanoflake-like morphology. Thermogravimetric analysis (TG-DTA) shows that the compound has a high thermal stability with a decomposition temperature above 450 °C. The density functional theory (DFT) and density of states (DOS) are found to be commensurate with the experimental results. The material shows good electrochemical performance with a capacitance of 245 F g −1 at a specific current density of 1 A g −1 . Further, the electrochemical impedance spectroscopy (EIS) study confirms the capacitive nature of the electrode.

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Section: Resultsmentioning

confidence: 92%

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni_0.779SbF₃(SO₄): A New Electrode Material for Electrochemical Supercapacitors

Das,

Paul,

Sen

et al. 2023

Crystal Growth & Design

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“…Arsenic-based compounds possess different binding abilities and biological activities. The arsenic-based compounds are often used for medical purposes, wood preservation, agricultural sectors, and so on. , The catalytic properties and binding ability of Cu compounds are quite interesting because of their variable oxidation states like Cu(0), Cu(I), Cu(II), and Cu(III). − Cu-based compounds show different geometrical aspects, Jahn–Teller distortion, and magnetic behavior. Till date, few Cu-based ternary oxide catalysts, such as CuBi 2 O 4 , CuSb 2 O 4 , CuAl 2 O 4 , and CuMn 2 O 4 , have been reported for effective dye degradation, organic transformation, water splitting, and other catalytic applications. − Cu-based spinel or ternary oxides are very popular.…”

Section: Introductionmentioning

confidence: 99%

CuAs₂O₄: Design, Hydrothermal Synthesis, Crystal Structure, Photocatalytic Dye Degradation, Hydrogen Evolution Reaction, Knoevenagel Condensation Reaction, and Thermal Studies

Sen,

Paul,

Krukowski

et al. 2024

Inorg. Chem.

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CuAs2O4 has been explored as a heterogeneous catalyst in the fields of photocatalysis, electrocatalysis, and solvent-free organic transformation reactions. The homogeneity has been successfully attained for the first time by designing a pH-assisted hydrothermal synthesis technique. Single-crystal X-ray diffraction studies reveal that no phase transition has been observed by lowering the temperature up to 103 K with no existence of satellite reflections. The crystal structure exhibits tetragonal symmetry with space group P42/mbc and consists of [CuO6] octahedra and [AsO3E] tetrahedra (E represents the stereochemically active lone pair). Structural investigation shows a cylindrical void inside the structure, which could lead to interesting physical and chemical properties. The photocatalytic dye degradation efficiency with methylene blue (MB) showed ∼100% degradation, though the degradation efficiency increased by 2-fold with the addition of 6% H2O2. The reusability of the catalyst up to the 10th cycle with ∼35% MB dye degradation has been established. It can exhibit HER activity with a low overpotential of 165 mV with respect to RHE to attain the current density of j = 10 mA cm–2. SEM and TEM revealed rod-shaped particles, which supported the large number of catalytic active sites. The structural consistency of the catalyst after photodegradation and HER studies is confirmed by the PXRD pattern. XPS confirms the oxidation state of Cu and As in the compound. The catalytic activity toward the Knoevenagel condensation reaction at moderate temperature under solvent-free condition is also studied. TG-DTA shows an endothermic minimum (T min) at 436 °C due to the mass loss of As2O3.

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“…The presence of stereochemically active lone pair, cation and halide ions triggered to crystallize the [M-L-O-X] compound with interesting physical characteristics i.e., magnetism, surface properties, etc. − The [M-L-O-X] with soft halides (e.g., Cl/Br/I) possess a covalent metal-oxide network without bonded halide ions. The building blocks are generally interconnected through the oxide bridging resulting in layered structures, whereas the halide atoms reside in the van der Waals gap. − The transition metal oxyfluorides [M-L–O-F], on the other hand, possess different structural features as the fluoride atoms are directly attached with the metal centers. This structural imparity could be attributed to the size and electronegativity differences of the halides.…”

Section: Introductionmentioning

confidence: 99%

Unraveling an Unusual Covalent C–Sb Bond Formation in a Co₃Sb₄CO₆F₆ Pseudo-superstructure

Paul,

Das,

Sepay

et al. 2024

Crystal Growth & Design

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The development of a novel transition metal carbon oxyfluoride, Co 3 Sb 4 CO 6 F 6 , i.e., an [M-L-C-O-F]-type compound, leads to the formation of a 2-fold ∼(√2a × √ 2b × c) pseudo-superstructure compared to the basic structure (a × b × c) of Co 3 Sb 4 O 6 F 6 , i.e., an [M-L-O-F]-type compound, and a unique C−Sb covalent bond has been revealed for the first time. The covalent bond parameter, i.e., distance between carbon and antimony, not only could be included in the directory of the chemical bond in the bond valence sum (BVS) model of Brese and O'Keeffe [Acta Crystallogr. B47, 1991, 192−197] but also can open up research in inorganic chemistry. A single crystal of Co 3 Sb 4 CO 6 F 6 has been obtained by employing a greener hydrothermal synthetic technique, and table sugar (sucrose, C 12 H 22 O 11 ) acted as the source of carbon while incorporating into Co 3 Sb 4 O 6 F 6 , a transition metal oxyfluoride system comprising a stereochemically active lone pair cation (Sb 3+ ). The smallest atomic radii of carbon were perfectly suited to occupy the tetrahedral sites of the Sb 4 pseudo tetrahedron in Co 3 Sb 4 O 6 F 6 and generated distortion in the structure, which resulted in lowering the symmetry to Fmm2 from I4̅ 3m. The participation of one electron from the lone pair of antimony cation and one electron from carbon led to the formation of a CSb 4 covalent unit, which is well supported by the electron localization function (ELF) study. The DFT study also confirmed the lowering of the band gap energy (E g = 1.16 eV) in Co 3 Sb 4 CO 6 F 6 compared to Co 3 Sb 4 O 6 F 6 (E g = 1.48 eV).

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Synthesis, crystal structure and photocatalytic studies of new oxyfluoride Cu5AsO5F5

Cited by 8 publications

References 73 publications

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni_0.779SbF₃(SO₄): A New Electrode Material for Electrochemical Supercapacitors

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni_0.779SbF₃(SO₄): A New Electrode Material for Electrochemical Supercapacitors

CuAs₂O₄: Design, Hydrothermal Synthesis, Crystal Structure, Photocatalytic Dye Degradation, Hydrogen Evolution Reaction, Knoevenagel Condensation Reaction, and Thermal Studies

Unraveling an Unusual Covalent C–Sb Bond Formation in a Co₃Sb₄CO₆F₆ Pseudo-superstructure

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Synthesis, crystal structure and photocatalytic studies of new oxyfluoride Cu5AsO5F5

Cited by 8 publications

References 73 publications

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni0.779SbF3(SO4): A New Electrode Material for Electrochemical Supercapacitors

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni0.779SbF3(SO4): A New Electrode Material for Electrochemical Supercapacitors

CuAs2O4: Design, Hydrothermal Synthesis, Crystal Structure, Photocatalytic Dye Degradation, Hydrogen Evolution Reaction, Knoevenagel Condensation Reaction, and Thermal Studies

Unraveling an Unusual Covalent C–Sb Bond Formation in a Co3Sb4CO6F6 Pseudo-superstructure

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Design, Synthesis, Crystal Structure, and Thermal Studies of Ni_0.779SbF₃(SO₄): A New Electrode Material for Electrochemical Supercapacitors

Design, Synthesis, Crystal Structure, and Thermal Studies of Ni_0.779SbF₃(SO₄): A New Electrode Material for Electrochemical Supercapacitors

CuAs₂O₄: Design, Hydrothermal Synthesis, Crystal Structure, Photocatalytic Dye Degradation, Hydrogen Evolution Reaction, Knoevenagel Condensation Reaction, and Thermal Studies

Unraveling an Unusual Covalent C–Sb Bond Formation in a Co₃Sb₄CO₆F₆ Pseudo-superstructure