Polyhedron最新文献_第5页

Preparation and characterization of hybrid material (C2N2H10)0.5CoPO4 application to photocatalysis

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-31 DOI: 10.1016/j.poly.2025.117427

R. Bagtache , K. Aouinane , R. Berbakh , M. Trari

This work is devoted to the hydrothermal synthesis at 150 °C of an organic–inorganic hybrid material (C₂N₂H₁₀)_0.5CoPO₄ (CoPO-ED) in the presence of cobalt as metal and ethylene diamine as organic matter. Physical characterizations namely X-Ray diffraction (XRD), coupled SEM/EDX analysis, optical microscopy, TG/DTG and chemical analyses, UV–Visible diffuse reflectance, FTIR / Raman spectroscopies and mass spectrometry were undertaken. The SEM image and optical microscopy allows observing both the morphology and colour. The XRD pattern confirms the single phase CoPO-ED, its crystallinity and purity. The optical study reveals a direct (1.81 eV) and indirect (1.72 eV) transitions due to the presence of the Jahn-Teller ion Co²⁺ tetrahedrally coordinated. The Raman spectrum shows the existence of organic bonds (CC, CH and CN) and the tetrahedral site of cobalt, thus confirming the structure of CoPO-ED while the mass spectrometry allows elucidating the organic fragments. The title compound has been tested for the first time in photocatalysis through the dyes degradation. For this, we have selected two dyes namely the cationic Methyl Violet (MV) and anionic Methyl Orange (MO), the results show an elimination of 50 and 40 % respectively under visible light after 5 h of irradiation.

{"title":"Preparation and characterization of hybrid material (C2N2H10)0.5CoPO4 application to photocatalysis","authors":"R. Bagtache , K. Aouinane , R. Berbakh , M. Trari","doi":"10.1016/j.poly.2025.117427","DOIUrl":"10.1016/j.poly.2025.117427","url":null,"abstract":"<div><div>This work is devoted to the hydrothermal synthesis at 150 °C of an organic–inorganic hybrid material (C2N2H10)0.5CoPO4 (CoPO-ED) in the presence of cobalt as metal and ethylene diamine as organic matter. Physical characterizations namely X-Ray diffraction (XRD), coupled SEM/EDX analysis, optical microscopy, TG/DTG and chemical analyses, UV–Visible diffuse reflectance, FTIR / Raman spectroscopies and mass spectrometry were undertaken. The SEM image and optical microscopy allows observing both the morphology and colour. The XRD pattern confirms the single phase CoPO-ED, its crystallinity and purity. The optical study reveals a direct (1.81 eV) and indirect (1.72 eV) transitions due to the presence of the Jahn-Teller ion Co2+ tetrahedrally coordinated. The Raman spectrum shows the existence of organic bonds (C<img>C, C<img>H and C<img>N) and the tetrahedral site of cobalt, thus confirming the structure of CoPO-ED while the mass spectrometry allows elucidating the organic fragments. The title compound has been tested for the first time in photocatalysis through the dyes degradation. For this, we have selected two dyes namely the cationic Methyl Violet (MV) and anionic Methyl Orange (MO), the results show an elimination of 50 and 40 % respectively under visible light after 5 h of irradiation.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"270 ","pages":"Article 117427"},"PeriodicalIF":2.4,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143349526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bottom-up synthesis of palladium nanoparticles: Kinetics effect and catalytic activity

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-28 DOI: 10.1016/j.poly.2025.117426

Shagufta Bi, Rashi Srivastava

Green nanotechnology is the term used to describe the ecologically responsible process of manufacturing PdNPs. It is an economical, safe, extensively utilized technology that is also good for the environment. In this work, Pd ions used for the bio-reduced to PdNPs using leaf extract from the Rosa damascena plant. The transmission electron microscopy of the PdNPs was analyzed at approx. 50 nm. This study examines the consequences of three key specifications on the environmental production of PdNPs. Temperature, pH, and volume of leaf extract are significant process factors. A leaf extract volume of 5 ml, pH of 4, and a temperature of 60 °C were more suitable for the maximum production of PdNPs. The volume of leaf extract, pH, and temperature were analyzed at 300 nm, 320 nm, and 350 nm using a UV–Vis spectrum to characterize PdNPs at the SPR band. Within the context of C–C cross-coupling processes, such as Mizoroki-Heck and Suzuki-Miyaura reactions the catalytic activity of PdNPs was examined at mild reaction conditions. For the purpose of characterizing the isolated product, 1H NMR was used. The PdNPs demonstrated a high level of catalytic activity and were able to provide conversion of the products that were being converted.

{"title":"Bottom-up synthesis of palladium nanoparticles: Kinetics effect and catalytic activity","authors":"Shagufta Bi, Rashi Srivastava","doi":"10.1016/j.poly.2025.117426","DOIUrl":"10.1016/j.poly.2025.117426","url":null,"abstract":"<div><div>Green nanotechnology is the term used to describe the ecologically responsible process of manufacturing PdNPs. It is an economical, safe, extensively utilized technology that is also good for the environment. In this work, Pd ions used for the bio-reduced to PdNPs using leaf extract from the Rosa damascena plant. The transmission electron microscopy of the PdNPs was analyzed at approx. 50 nm. This study examines the consequences of three key specifications on the environmental production of PdNPs. Temperature, pH, and volume of leaf extract are significant process factors. A leaf extract volume of 5 ml, pH of 4, and a temperature of 60 °C were more suitable for the maximum production of PdNPs. The volume of leaf extract, pH, and temperature were analyzed at 300 nm, 320 nm, and 350 nm using a UV–Vis spectrum to characterize PdNPs at the SPR band. Within the context of C–C cross-coupling processes, such as Mizoroki-Heck and Suzuki-Miyaura reactions the catalytic activity of PdNPs was examined at mild reaction conditions. For the purpose of characterizing the isolated product, 1H NMR was used. The PdNPs demonstrated a high level of catalytic activity and were able to provide conversion of the products that were being converted.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"269 ","pages":"Article 117426"},"PeriodicalIF":2.4,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A sustainable and efficient method for preparation of benzothiazole sulfonamides using Fe3O4@SiO2-DiCA/BPY-CuI nanocomposite as a novel reusable catalyst

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-27 DOI: 10.1016/j.poly.2025.117424

Yuanyuan She, Xuanyan Liu, Wenwei Hu

In this paper, we successfully developed the Fe₃O₄@SiO₂-DiCA/BPY-CuI nanocomposite and rigorously assessed its catalytic performance in producing benzothiazole sulfonamides. This was achieved through innovative coupling reactions involving 2-amino benzothiazoles, aryl iodides, and K₂S₂O₅, utilizing KOAc in glycerol under mild conditions. Our catalyst, Fe₃O₄@SiO₂-DiCA/BPY-CuI, was synthesized using a straightforward and effective approach, which involves immobilizing copper iodide on Fe₃O₄@SiO₂ nanoparticles modified with a bipyridine ligand. Notably, we stand at the forefront of synthetic chemistry, having achieved the unprecedented production of 21 distinct benzothiazole sulfonamide derivatives for the very first time with this catalyst. Our method aligns perfectly with green chemistry principles, demonstrating exceptional efficiency under gentle conditions. The results of our extensive recycling evaluations highlight the Fe₃O₄@SiO₂-DiCA/BPY-CuI catalyst as a superior choice for green chemistry applications. It’s remarkable ease of separation from the reaction mixture, combined with its impressive ability to be reused for up to 8 consecutive cycles without any significant decline in catalytic efficacy, underscores its exceptional potential. The outcomes from our tests, evaluations, and comparative analyses reveal that this catalytic system possesses numerous remarkable features, including the high-yield synthesis of various benzothiazole sulfonamide derivatives, environmentally friendly reaction conditions, the utilization of a green solvent, and a catalyst firmly rooted in the principles of green chemistry.

{"title":"A sustainable and efficient method for preparation of benzothiazole sulfonamides using Fe3O4@SiO2-DiCA/BPY-CuI nanocomposite as a novel reusable catalyst","authors":"Yuanyuan She, Xuanyan Liu, Wenwei Hu","doi":"10.1016/j.poly.2025.117424","DOIUrl":"10.1016/j.poly.2025.117424","url":null,"abstract":"<div><div>In this paper, we successfully developed the Fe3O4@SiO2-DiCA/BPY-CuI nanocomposite and rigorously assessed its catalytic performance in producing benzothiazole sulfonamides. This was achieved through innovative coupling reactions involving 2-amino benzothiazoles, aryl iodides, and K2S2O5, utilizing KOAc in glycerol under mild conditions. Our catalyst, Fe3O4@SiO2-DiCA/BPY-CuI, was synthesized using a straightforward and effective approach, which involves immobilizing copper iodide on Fe3O4@SiO2 nanoparticles modified with a bipyridine ligand. Notably, we stand at the forefront of synthetic chemistry, having achieved the unprecedented production of 21 distinct benzothiazole sulfonamide derivatives for the very first time with this catalyst. Our method aligns perfectly with green chemistry principles, demonstrating exceptional efficiency under gentle conditions. The results of our extensive recycling evaluations highlight the Fe3O4@SiO2-DiCA/BPY-CuI catalyst as a superior choice for green chemistry applications. It’s remarkable ease of separation from the reaction mixture, combined with its impressive ability to be reused for up to 8 consecutive cycles without any significant decline in catalytic efficacy, underscores its exceptional potential. The outcomes from our tests, evaluations, and comparative analyses reveal that this catalytic system possesses numerous remarkable features, including the high-yield synthesis of various benzothiazole sulfonamide derivatives, environmentally friendly reaction conditions, the utilization of a green solvent, and a catalyst firmly rooted in the principles of green chemistry.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"270 ","pages":"Article 117424"},"PeriodicalIF":2.4,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372811","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigation on photophysical and photochemical properties of Ir and Ru complexes featuring sulfurated pyridine-1,2,3-triazole based ligands

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-27 DOI: 10.1016/j.poly.2025.117423

Shao-An Hua , Hsin-Yu Chang , Kai-Yan Chen , Mandy M. Lee , Yi-Hung Liu , Shih-Sheng Sun

In this study, we developed novel pyridine-triazole hybrid ligand scaffolds using the copper-catalyzed azide-alkyne cycloaddition (CuAAC) approach, followed by the incorporation of methylthio functionalization. These ligands were then employed to synthesize ruthenium(II) and iridium(III) complexes, which were comprehensively characterized by NMR spectroscopy, optical spectroscopy, electrochemistry, and single-crystal X-ray diffraction (sXRD). The introduction of a methylthio group in the triazole backbone led to significant anodic shifts in the reduction potentials of the ancillary ligands, attributed to LUMO + 2 stabilization as confirmed by DFT calculations. Ruthenium complexes demonstrated photochemical reactivity, with a low-lying ³MC (metal-centered) state facilitating thermally accessible non-radiative deactivation via photo-induced ligand release, indicating their potential for photoactivated chemotherapy. In contrast, the iridium complexes exhibited structured emission bands, with triplet excited states localized on the ³LC state and long luminescence lifetimes (∼1.5 μs), making them promising candidates as phosphors for advanced light-emitting devices. Notably, the dual methylthio groups offer further versatility, including potential for disulfide bond formation under reductive conditions and surface anchoring applications, underscoring the multifunctionality and broad applicability of this ligand design.

{"title":"Investigation on photophysical and photochemical properties of Ir and Ru complexes featuring sulfurated pyridine-1,2,3-triazole based ligands","authors":"Shao-An Hua , Hsin-Yu Chang , Kai-Yan Chen , Mandy M. Lee , Yi-Hung Liu , Shih-Sheng Sun","doi":"10.1016/j.poly.2025.117423","DOIUrl":"10.1016/j.poly.2025.117423","url":null,"abstract":"<div><div>In this study, we developed novel pyridine-triazole hybrid ligand scaffolds using the copper-catalyzed azide-alkyne cycloaddition (CuAAC) approach, followed by the incorporation of methylthio functionalization. These ligands were then employed to synthesize ruthenium(II) and iridium(III) complexes, which were comprehensively characterized by NMR spectroscopy, optical spectroscopy, electrochemistry, and single-crystal X-ray diffraction (sXRD). The introduction of a methylthio group in the triazole backbone led to significant anodic shifts in the reduction potentials of the ancillary ligands, attributed to LUMO + 2 stabilization as confirmed by DFT calculations. Ruthenium complexes demonstrated photochemical reactivity, with a low-lying 3MC (metal-centered) state facilitating thermally accessible non-radiative deactivation via photo-induced ligand release, indicating their potential for photoactivated chemotherapy. In contrast, the iridium complexes exhibited structured emission bands, with triplet excited states localized on the 3LC state and long luminescence lifetimes (∼1.5 μs), making them promising candidates as phosphors for advanced light-emitting devices. Notably, the dual methylthio groups offer further versatility, including potential for disulfide bond formation under reductive conditions and surface anchoring applications, underscoring the multifunctionality and broad applicability of this ligand design.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"269 ","pages":"Article 117423"},"PeriodicalIF":2.4,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solvent-assisted control of the oxidation state in a dinuclear cobalt(II) complex with slow relaxation of the magnetization

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-27 DOI: 10.1016/j.poly.2025.117425

Rabi Sankar Sarkar , Carlos J. Gómez García , Samia Benmansour , Shouvik Chattopadhyay

The use of the reduced compartmental N₂O₄-donor ligand, H₂L^r (= 2,2-dimethyl-1,3-propanediyl-bis(iminomethylene)-bis(6-ethoxyphenol)), containing an inner N₂O₂ and an outer O₂O′₂ cavity, with Co^II in dimethylsulfoxide (dmso) gives rise to a p-nitrobenzoic −bridged cobalt(II) dimer: [(dmso)Co^IIL^r(μ-RCO₂)Co^II(NCS)] (1) (RCO₂H = p-nitrobenzoic acid). The reducing environment of the solvent dmso plays a crucial role in stabilizing cobalt(II) in the complex 1. The dimeric complex has been structurally characterized by single-crystal X-ray diffraction and various spectroscopic techniques. Magnetic DC and AC susceptibility measurements show very weak ferromagnetic interactions in the complex and a field-induced slow magnetization relaxation (SMR) at relatively low temperatures. For an applied DC field of 100 mT, the complex shows a slow relaxation process that follows Direct and Orbach mechanisms with A = 1.47(5) × 10⁴ s⁻¹ K⁻¹, τ₀ = 4.0(4) × 10⁻⁸ s and U_eff = 18(2) K.

{"title":"Solvent-assisted control of the oxidation state in a dinuclear cobalt(II) complex with slow relaxation of the magnetization","authors":"Rabi Sankar Sarkar , Carlos J. Gómez García , Samia Benmansour , Shouvik Chattopadhyay","doi":"10.1016/j.poly.2025.117425","DOIUrl":"10.1016/j.poly.2025.117425","url":null,"abstract":"<div><div>The use of the reduced compartmental N2O4-donor ligand, H2Lr (= 2,2-dimethyl-1,3-propanediyl-bis(iminomethylene)-bis(6-ethoxyphenol)), containing an inner N2O2 and an outer O2O′2 cavity, with CoII in dimethylsulfoxide (dmso) gives rise to a p-nitrobenzoic −bridged cobalt(II) dimer: [(dmso)CoIILr(μ-RCO2)CoII(NCS)] (1) (RCO2H = p-nitrobenzoic acid). The reducing environment of the solvent dmso plays a crucial role in stabilizing cobalt(II) in the complex 1. The dimeric complex has been structurally characterized by single-crystal X-ray diffraction and various spectroscopic techniques. Magnetic DC and AC susceptibility measurements show very weak ferromagnetic interactions in the complex and a field-induced slow magnetization relaxation (SMR) at relatively low temperatures. For an applied DC field of 100 mT, the complex shows a slow relaxation process that follows Direct and Orbach mechanisms with A = 1.47(5) × 104 s−1 K−1, τ0 = 4.0(4) × 10−8 s and Ueff = 18(2) K.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"269 ","pages":"Article 117425"},"PeriodicalIF":2.4,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ab initio investigation for π-hole interactions of tetrel- and aerogen-bearing molecules with multiple CO Lewis bases

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-25 DOI: 10.1016/j.poly.2025.117421

Tamer H.A. Hasanin , Heba S.M. Abd Elhafez , Mohammed N.I. Shehata , Mohamed Y. El-Sayed , Al-shimaa S.M. Rady , I.M. Ahmed , Mahmoud A.A. Ibrahim

Unconventional π-hole interactions of tetrel-bearing molecules (TO₂ where T = Ge and Sn) with multiple CO Lewis bases were investigated and comparatively addressed with the aerogen analogs (ZF₂ where Z = Kr and Xe) using ab initio calculations. Toward elucidating the occurrence of π-hole interactions, the TO₂∙∙∙ and ZF₂∙∙∙(CO)_n complexes (n = 1–5) were examined. From the point-of-charge (PoC) calculations, stabilization energies were noticed for all TO₂∙∙∙ and ZF₂∙∙∙PoC systems, ensuring the potential of TO₂ and ZF₂ molecules to participate in π-hole interactions from the electrostatic perspective. From energy calculations, negative interaction energy (E_int) values were observed for all optimized TO₂∙∙∙ and ZF₂∙∙∙(CO)_n complexes with values up to −15.19 kcal/mol. Additionally, negative E_int values were observed to enhance in the order of TO₂/ZF₂∙∙∙(CO)₁ < (CO)₂ < (CO)₃ < (CO)₄ < (CO)₅ complexes. Notably, more negative E_int values were observed for tetrel-bearing complexes than aerogen analogs, outlining the higher favorability of TO₂ molecules to engage in π-hole interactions. From the quantum theory of atoms in molecules and noncovalent interaction index analyses, the favorable nature of the investigated interactions was elucidated. Based on FMOs results, changes in molecular orbital distributions were observed after the interaction with multiple CO LBs, demonstrating the favorability of π-hole interactions within TO₂∙∙∙ and ZF₂∙∙∙(CO)_n complexes. Subsequently, alterations in the calculated electronic parameters were observed following the interaction with CO LBs, outlining the occurrence of π-hole interactions within TO₂∙∙∙ and ZF₂∙∙∙(CO)_n complexes. Such π-hole interactions would be underpinning for the forthcoming studies relevant to supramolecular chemistry and crystal engineering fields.

{"title":"Ab initio investigation for π-hole interactions of tetrel- and aerogen-bearing molecules with multiple CO Lewis bases","authors":"Tamer H.A. Hasanin , Heba S.M. Abd Elhafez , Mohammed N.I. Shehata , Mohamed Y. El-Sayed , Al-shimaa S.M. Rady , I.M. Ahmed , Mahmoud A.A. Ibrahim","doi":"10.1016/j.poly.2025.117421","DOIUrl":"10.1016/j.poly.2025.117421","url":null,"abstract":"<div><div>Unconventional π-hole interactions of tetrel-bearing molecules (TO2 where T = Ge and Sn) with multiple CO Lewis bases were investigated and comparatively addressed with the aerogen analogs (ZF2 where Z = Kr and Xe) using ab initio calculations. Toward elucidating the occurrence of π-hole interactions, the TO2∙∙∙ and ZF2∙∙∙(CO)n complexes (n = 1–5) were examined. From the point-of-charge (PoC) calculations, stabilization energies were noticed for all TO2∙∙∙ and ZF2∙∙∙PoC systems, ensuring the potential of TO2 and ZF2 molecules to participate in π-hole interactions from the electrostatic perspective. From energy calculations, negative interaction energy (Eint) values were observed for all optimized TO2∙∙∙ and ZF2∙∙∙(CO)n complexes with values up to −15.19 kcal/mol. Additionally, negative Eint values were observed to enhance in the order of TO2/ZF2∙∙∙(CO)1 < (CO)2 < (CO)3 < (CO)4 < (CO)5 complexes. Notably, more negative Eint values were observed for tetrel-bearing complexes than aerogen analogs, outlining the higher favorability of TO2 molecules to engage in π-hole interactions. From the quantum theory of atoms in molecules and noncovalent interaction index analyses, the favorable nature of the investigated interactions was elucidated. Based on FMOs results, changes in molecular orbital distributions were observed after the interaction with multiple CO LBs, demonstrating the favorability of π-hole interactions within TO2∙∙∙ and ZF2∙∙∙(CO)n complexes. Subsequently, alterations in the calculated electronic parameters were observed following the interaction with CO LBs, outlining the occurrence of π-hole interactions within TO2∙∙∙ and ZF2∙∙∙(CO)n complexes. Such π-hole interactions would be underpinning for the forthcoming studies relevant to supramolecular chemistry and crystal engineering fields.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"269 ","pages":"Article 117421"},"PeriodicalIF":2.4,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of polymer combustion synthesis on thermal, spectroscopic, structural, and magnetic properties of Co3O4 nanoparticles

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-25 DOI: 10.1016/j.poly.2025.117419

Surekha S. Jogdand , Satyawati S. Joshi

We synthesized Co₃O₄ nanoparticles using polyethylene glycol by polymer combustion method. The pristine sample was annealed at 300, 500 and 800 °C. Fourier transform infrared spectroscopy (FTIR) was used to investigate the molecular mechanisms of degradation process in connection with thermal gravimetry (TG) and Differential Thermal Analysis (DTA). Raman studies indicate the shifting of all modes of Co₃O₄ towards the higher wave number indicating the interaction between Co₃O₄ nanoparticles and polymer matrix; supports the FTIR observation. Transmission Electron Microscopy (TEM) analysis show formation of single crystalline spinel phase. The magnetic properties are discussed in correlation with FTIR with respect to behavior of polymer. Highest coercivity of 214 G was observed for Co₃O₄ nanoparticles annealed at 300 °C from that of bulk Co₃O₄. The anomalous magnetic behavior observed in 300 °C annealed sample seems to be due to surface adsorption of OH groups and degradation of polyethylene glycol into hydroperoxide and conjugated double bond [CC]. The conjugated CC due to collective states of the π-electrons in the polymeric matrix may be involved in the magnetic behavior.

{"title":"Effect of polymer combustion synthesis on thermal, spectroscopic, structural, and magnetic properties of Co3O4 nanoparticles","authors":"Surekha S. Jogdand , Satyawati S. Joshi","doi":"10.1016/j.poly.2025.117419","DOIUrl":"10.1016/j.poly.2025.117419","url":null,"abstract":"<div><div>We synthesized Co3O4 nanoparticles using polyethylene glycol by polymer combustion method. The pristine sample was annealed at 300, 500 and 800 °C. Fourier transform infrared spectroscopy (FTIR) was used to investigate the molecular mechanisms of degradation process in connection with thermal gravimetry (TG) and Differential Thermal Analysis (DTA). Raman studies indicate the shifting of all modes of Co3O4 towards the higher wave number indicating the interaction between Co3O4 nanoparticles and polymer matrix; supports the FTIR observation. Transmission Electron Microscopy (TEM) analysis show formation of single crystalline spinel phase. The magnetic properties are discussed in correlation with FTIR with respect to behavior of polymer. Highest coercivity of 214 G was observed for Co3O4 nanoparticles annealed at 300 °C from that of bulk Co3O4. The anomalous magnetic behavior observed in 300 °C annealed sample seems to be due to surface adsorption of OH groups and degradation of polyethylene glycol into hydroperoxide and conjugated double bond [<img>C<img>C<img>]. The conjugated C<img>C due to collective states of the π-electrons in the polymeric matrix may be involved in the magnetic behavior.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"269 ","pages":"Article 117419"},"PeriodicalIF":2.4,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring CH···Azide interactions in Co(III) Schiff base complexes: Synthesis, crystal structures, and theoretical insights

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-24 DOI: 10.1016/j.poly.2025.117422

Susovan Bera , Antonio Frontera , Shouvik Chattopadhyay

This study presents the synthesis, crystal structures, and theoretical analysis of three new Co(III) Schiff-base complexes. The complexes, [Co(L¹)(bzan)(N₃)] (1), [Co(L²)(bzan)(N₃)] (2), and [Co(L³)(PTZ)(N₃)] (3) [where, HL¹ = 1-((2-(dimethylamino)ethylimino)methyl)naphthalen-2-ol, HL² = 2-(-(2-(diethylamino)ethylimino)methyl)-4,6-dibromophenol, Hbzan = 1-benzoylacetone, HL³ = 2-((E)-(2-(dimethylamino)ethylimino)methyl)-4-chlorophenol, HPTZ = 5-(2-pyridyl)tetrazole], were synthesized using Schiff base ligands (HL¹-HL³) and azide ligands, yielding mononuclear octahedral structures. Detailed Hirshfeld surface analysis revealed the importance of N···H interactions involving the azide ligands, in addition to C···H and H···H interactions. DFT calculations further explored the electronic structures and the nature of the noncovalent interactions within the complexes. The findings indicate that CH···N₃ interactions play a crucial role in the self-assembly of these complexes, forming 1D polymeric chains. The study highlights the importance of these interactions in stabilizing the crystal structures and offers insights into the role of noncovalent forces in the design of new coordination complexes.

{"title":"Exploring CH···Azide interactions in Co(III) Schiff base complexes: Synthesis, crystal structures, and theoretical insights","authors":"Susovan Bera , Antonio Frontera , Shouvik Chattopadhyay","doi":"10.1016/j.poly.2025.117422","DOIUrl":"10.1016/j.poly.2025.117422","url":null,"abstract":"<div><div>This study presents the synthesis, crystal structures, and theoretical analysis of three new Co(III) Schiff-base complexes. The complexes, [Co(L1)(bzan)(N3)] (1), [Co(L2)(bzan)(N3)] (2), and [Co(L3)(PTZ)(N3)] (3) [where, HL1 = 1-((2-(dimethylamino)ethylimino)methyl)naphthalen-2-ol, HL2 = 2-(-(2-(diethylamino)ethylimino)methyl)-4,6-dibromophenol, Hbzan = 1-benzoylacetone, HL3 = 2-((E)-(2-(dimethylamino)ethylimino)methyl)-4-chlorophenol, HPTZ = 5-(2-pyridyl)tetrazole], were synthesized using Schiff base ligands (HL1-HL3) and azide ligands, yielding mononuclear octahedral structures. Detailed Hirshfeld surface analysis revealed the importance of N···H interactions involving the azide ligands, in addition to C···H and H···H interactions. DFT calculations further explored the electronic structures and the nature of the noncovalent interactions within the complexes. The findings indicate that CH···N3 interactions play a crucial role in the self-assembly of these complexes, forming 1D polymeric chains. The study highlights the importance of these interactions in stabilizing the crystal structures and offers insights into the role of noncovalent forces in the design of new coordination complexes.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"269 ","pages":"Article 117422"},"PeriodicalIF":2.4,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143147746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Constructing nanoflower-like semiconductor–insulator SrCO3/SrTiO3 heterojunction photocatalyst for the efficient removal of TC by the synergistic effect of adsorption and photocatalysis 利用吸附和光催化的协同效应构建纳米花状半导体-绝缘体 SrCO3/SrTiO3 异质结光催化剂以高效去除 TC

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-23 DOI: 10.1016/j.poly.2025.117420

Meng Wen, Qi Guo, Xiaoling Liu, Xiang Li, Heping Li, Haijuan Zhan, Wanyi Liu

A combination of adsorption and photocatalysis is a promising method to degrade organic pollutants. Herein, the work adopts SrTiO₃ semiconductor coupled with insulator SrCO₃ via an in-situ solvent method to construct a heterojunction with built-in electric field (IEF) photocatalyst, which improves excellently the electrons-holes (h⁺-e^-) separation and adsorption performance on SrTiO₃. The close heterojunction and the IEF formed at the heterojunction interface enhance the transfer and separation of photogenerated carriers, generating more active substances. Meanwhile, the unique nanoflower structure of SrCO₃/SrTiO₃ and the introduction of SrCO₃ provide more adsorption sites and active centers, which is conducive to the adsorption and activation of TC. Thus, the maximum adsorption capacity of SrCO₃/SrTiO₃ could be up to 47.15 mg/g^-¹ within 30 min. Compared with pure SrTiO₃, SrCO₃/SrTiO₃ exhibited the excellent removal of tetracycline hydrochloride (TC) (120 min, 90.5 %) via the synergistic effect of adsorption and photocatalysis under visible light, and its photocatalytic reaction rate was 24.79 and 3 times higher than SrCO₃ and SrTO₃, individually. h⁺and •O₂^– played a pivotal role in TC degradation. Additionally, the adsorption behavior of TC on SrCO₃/SrTiO₃ composite and the photocatalytic degradation mechanism of SrCO₃/SrTiO₃ were investigated in detail. This work provides a new idea for improving the photocatalytic performance of SrTiO₃ and the application of insulators in photocatalysis.

{"title":"Constructing nanoflower-like semiconductor–insulator SrCO3/SrTiO3 heterojunction photocatalyst for the efficient removal of TC by the synergistic effect of adsorption and photocatalysis","authors":"Meng Wen, Qi Guo, Xiaoling Liu, Xiang Li, Heping Li, Haijuan Zhan, Wanyi Liu","doi":"10.1016/j.poly.2025.117420","DOIUrl":"10.1016/j.poly.2025.117420","url":null,"abstract":"<div><div>A combination of adsorption and photocatalysis is a promising method to degrade organic pollutants. Herein, the work adopts SrTiO3 semiconductor coupled with insulator SrCO3 via an in-situ solvent method to construct a heterojunction with built-in electric field (IEF) photocatalyst, which improves excellently the electrons-holes (h+-e-) separation and adsorption performance on SrTiO3. The close heterojunction and the IEF formed at the heterojunction interface enhance the transfer and separation of photogenerated carriers, generating more active substances. Meanwhile, the unique nanoflower structure of SrCO3/SrTiO3 and the introduction of SrCO3 provide more adsorption sites and active centers, which is conducive to the adsorption and activation of TC. Thus, the maximum adsorption capacity of SrCO3/SrTiO3 could be up to 47.15 mg/g-1 within 30 min. Compared with pure SrTiO3, SrCO3/SrTiO3 exhibited the excellent removal of tetracycline hydrochloride (TC) (120 min, 90.5 %) via the synergistic effect of adsorption and photocatalysis under visible light, and its photocatalytic reaction rate was 24.79 and 3 times higher than SrCO3 and SrTO3, individually. h+and •O2– played a pivotal role in TC degradation. Additionally, the adsorption behavior of TC on SrCO3/SrTiO3 composite and the photocatalytic degradation mechanism of SrCO3/SrTiO3 were investigated in detail. This work provides a new idea for improving the photocatalytic performance of SrTiO3 and the application of insulators in photocatalysis.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"271 ","pages":"Article 117420"},"PeriodicalIF":2.4,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Keggin and Anderson POM-based hybrids modified by 4-pyridinepropanol: Synthesis, crystal structures, photophysical and DNA binding properties

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-01-22 DOI: 10.1016/j.poly.2025.117418

Eyüp Akgün , Büşra Albayrak Mısır , Sabahattin Comertpay , Muhammet Köse , Mehmet Tümer

In this study, we synthesized two hybrid compounds based on Anderson [C₁₆H₃₄N₂Mo₆AlNaO₂₈] (AL) and Keggin [C₃₂H₄₈N₄Mo₁₂SiO₄₄] (KL) polyoxometalate (POM) and characterized their structures by various spectroscopic methods. In order to decorate Anderson and Keggin POM compounds, 4-pyridinepropanol (4-PyP-OH) compound was used and the organic–inorganic hybrids were prepared. The single crystals of the organic–inorganic hybrids AL and KL were obtained from aqueous solution and their molecular structures were solved by X-ray crystallography method. DNA binding properties of the hybrids AL, KL, POMs and 4-PyP-OH were investigated by the electronic spectroscopy and viscosity measurements. The emission and excitation properties of the compounds were investigated by the photoluminescence method. The redox properties of the compounds were investigated by cyclic voltammetry method in the −1.0 – 1.5 V range and it was determined that they generally exhibit irreversible redox events in this potential range. Thermal behaviours of the hybrids AL and KL in the 20–750 °C temperature range were investigated by the thermal methods.

{"title":"Keggin and Anderson POM-based hybrids modified by 4-pyridinepropanol: Synthesis, crystal structures, photophysical and DNA binding properties","authors":"Eyüp Akgün , Büşra Albayrak Mısır , Sabahattin Comertpay , Muhammet Köse , Mehmet Tümer","doi":"10.1016/j.poly.2025.117418","DOIUrl":"10.1016/j.poly.2025.117418","url":null,"abstract":"<div><div>In this study, we synthesized two hybrid compounds based on Anderson [C16H34N2Mo6AlNaO28] (AL) and Keggin [C32H48N4Mo12SiO44] (KL) polyoxometalate (POM) and characterized their structures by various spectroscopic methods. In order to decorate Anderson and Keggin POM compounds, 4-pyridinepropanol (4-PyP-OH) compound was used and the organic–inorganic hybrids were prepared. The single crystals of the organic–inorganic hybrids AL and KL were obtained from aqueous solution and their molecular structures were solved by X-ray crystallography method. DNA binding properties of the hybrids AL, KL, POMs and 4-PyP-OH were investigated by the electronic spectroscopy and viscosity measurements. The emission and excitation properties of the compounds were investigated by the photoluminescence method. The redox properties of the compounds were investigated by cyclic voltammetry method in the −1.0 – 1.5 V range and it was determined that they generally exhibit irreversible redox events in this potential range. Thermal behaviours of the hybrids AL and KL in the 20–750 °C temperature range were investigated by the thermal methods.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"269 ","pages":"Article 117418"},"PeriodicalIF":2.4,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143148718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0