Journal of the Iranian Chemical Society最新文献

{"title":"Cobalt-substituted spinel ferrite nanoparticles as visible-light photocatalysts for efficient ciprofloxacin degradation in wastewater","authors":"Dibakar Roy,&nbsp;Rabia Iftikhar,&nbsp;Muhammad Yasar,&nbsp;Fuad M. Alzahrani,&nbsp;Khalid J. Alzahrani,&nbsp;Khalaf F. Alsharif,&nbsp;Shakhlokhon Kurbanova,&nbsp;Murodjon Yaxshimuratov,&nbsp;Gurumurthy B. Ramaiah","doi":"10.1007/s13738-026-03436-8","DOIUrl":"10.1007/s13738-026-03436-8","url":null,"abstract":"<div><p>The widespread use of ciprofloxacin (CIP), a fluoroquinolone antibiotic, has led to its persistence as a pollutant, promoting antibiotic resistance. Conventional wastewater treatment methods have limited efficacy in removing CIP, necessitating advanced technologies. This study investigated the synthesis and photocatalytic performance of Co_xMg_{0.6− X}Cd_0.2Ba_0.2Fe₂O₄ (X = 0, 0.3) ferrite nanoparticles for the degradation of CIP and other organic pollutants. The nanoparticles were synthesized via Sol-gel auto-combustion and characterized using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and energy-dispersive X-ray (EDX) spectroscopy. XRD revealed a decreased lattice constant (8.3893–8.3664 Å) and crystallite size (25.056–20.540 nm) with cobalt doping. BET analysis showed increased surface area (12.36–14.95 m²/g) and pore volume (0.0185–0.0263 cm³/g) with cobalt. The band gap narrowed from 2.88 to 2.61 eV, improving visible-light absorption. Photocatalytic tests showed that cobalt-doped ferrite achieved 100% CIP degradation under visible light within 100 min, versus 56% for undoped samples, tetracycline (87.34%), sulfamethoxazole (68.89%), and amoxicillin (45.65%). Scavenger analysis revealed hydroxyl radicals as the main reactive species, contributing to 67.55% degradation. The addition of H₂O₂, PMS, and PS enhanced degradation. This study demonstrates the potential of cobalt-doped spinel ferrites as efficient photocatalysts for environmental remediation.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic effects of Mo and Zn in TiO2 for photocatalytic degradation of methylene blue","authors":"Manzar Ijaz,&nbsp;Mudassar Maraj,&nbsp;Faisal Ali,&nbsp;Nawal Ansar,&nbsp;Faiza Naseem,&nbsp;Haleema Riaz,&nbsp;Nishat Fatima,&nbsp;Muhammad Imran Khan","doi":"10.1007/s13738-026-03432-y","DOIUrl":"10.1007/s13738-026-03432-y","url":null,"abstract":"<div><p>Environmental and health hazards due to organic pollutants in wastewater worldwide necessitate their removal. Methylene blue (MB), a toxic and carcinogenic dye used in textiles and plastic manufacturing, is one of the organic pollutants that need to be removed efficiently from wastewater. Metal oxide semiconductors have shown potential in degrading organic pollutants. In this study, Mo and Zn co-doped TiO₂ nanomaterials were prepared by a hydrothermal method to enhance their photocatalytic efficiency. The influence of Mo and Zn concentration on the structural, morphological, electrical, optical, and photocatalytic properties was investigated. The structural and elemental analyses confirmed the presence of a single-phase anatase TiO₂ with a tetragonal crystal structure and crystallite size ranging from 17 to 26 nm. The morphology showed spherical nanoparticles. The optical bandgap was narrowed by co-doping with Mo and Zn as indicated by UV-vis and PL analyses. The photocatalytic efficiency showed that all Mo and Zn co-doped samples performed better than pure TiO₂ under visible light irradiation in degrading MB. A direct relationship was observed between the recombination rate and photocatalytic activity of the samples. The optimized photocatalyst with 7.5 wt% Mo and 2.5 wt% Zn showed 93.8% efficiency in degrading MB with a rate constant of 0.0140 min⁻¹, proving its high efficiency and stability in real world applications.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829104","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical insights into the structure, stability, and photophysical properties of aniline monohydrated dimer clusters (An2W1): a DFT and TD-DFT study","authors":"Md. Alauddin,&nbsp;Mohammad Abdul Matin,&nbsp;Zubair Hasan","doi":"10.1007/s13738-026-03435-9","DOIUrl":"10.1007/s13738-026-03435-9","url":null,"abstract":"<div><p>This study presents a comprehensive theoretical investigation of the conformational landscape, thermodynamic, electronic, photophysical behavior, and radiative lifetime of the aniline monohydrated dimer cluster (An₂W₁) using DFT and TD-DFT approaches at the B3LYP/aug-cc-pVTZ level. Conformational analysis identified eight distinct conformers, with conformer 01 being the most stable due to strong O–H···N, N···O–H, and N–H···N hydrogen bonding interactions. Thermodynamic parameters revealed minimal variations across conformers, though conformer 01 exhibited the lowest dipole moment and entropy, confirming its high stability. Vibrational infrared (IR) analysis confirmed the existence of hydrogen bonding in conformer 01, with the calculated frequencies correlating closely with the experimental results. UV/Vis absorption spectra showed significant intramolecular charge transfer (ICT) transitions, with notable redshifts and large Stokes shifts, particularly in conformer 08, indicating twisted ICT states. Fluorescence and phosphorescence lifetimes were computed using oscillator strengths and transition energies, revealing that conformer 04 had the longest fluorescence lifetime (32.44 ns), and conformer 07 exhibited the longest phosphorescence lifetime (9.924 µs). These findings confirm that the position of water and weak non-covalent interactions significantly influence photophysical responses and excited-state dynamics. Frontier molecular orbital (FMO) and chemical reactivity descriptor analysis revealed a correlation between energy gap and chemical stability. NBO, QTAIM and RDG-NCI analyses further confirmed stabilizing donor–acceptor, H-bonding and van der Waals interactions. These findings offer comprehensive insight into the structure–property relationships of An₂W₁ clusters and their potential in in molecular photonics and photophysical applications.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Agricultural-waste-derived activated carbons for heavy metal removal: role of precursor chemistry in performance metrics","authors":"Zahra Rahmati,&nbsp;Elaheh K. Goharshadi","doi":"10.1007/s13738-026-03440-y","DOIUrl":"10.1007/s13738-026-03440-y","url":null,"abstract":"<div><p>The increasing need for sustainable solutions to environmental pollution has highlighted the importance of sorbent materials, particularly activated carbon, in removing a wide range of contaminants, including heavy metals, organic pollutants, and dyes, from aqueous and gaseous environments. This review provides a comprehensive assessment of the role of activated carbon in environmental remediation, with a focus on key factors influencing sorption efficiency, such as precursor chemistry, activation methods, and sorption mechanisms. It further discusses carbonization and activation strategies including physical and chemical methods, as well as one-step and two-step processes in relation to pore development, surface area, and functionalization. The sorption mechanisms of heavy metals, including electrostatic interactions, ion exchange, surface complexation, and pore diffusion, are analyzed together with performance metrics for individual and multi-metal systems, regeneration potential, with comparative evaluation against commercial carbons, and emphasizing the roles of precursor selection and activation conditions. Also, the review addresses the environmental implication and sustainability considerations, including waste valorization, energy and chemical efficiency, life-cycle impacts, and circular economy integration. The challenges, knowledge gaps, and future perspectives are also outlined, suggesting guidance for the rational design, optimization, and practical application of agricultural waste-derived activated carbons for efficient, sustainable, and scalable heavy metal remediation.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient one-pot synthesis of multisubstituted tetrazolo[1,5-a]pyridines using task-specific silica immobilized organosilane-based azide ionic liquid","authors":"Hassan Valizadeh,&nbsp;Mohammad Sadighpour Yam","doi":"10.1007/s13738-026-03425-x","DOIUrl":"10.1007/s13738-026-03425-x","url":null,"abstract":"<div><p>Synthesis of tetrazolo[1,5-a]pyridine derivatives using task-specific silica immobilized organosilane-based azide ionic liquid via the convenient multicomponent reaction is described. Treatment of di-(methyl and ethyl) acethylenedicarboxilate with arylaldehydes, malononitrile, and sodium azide at 80 °C in the absence of any catalyst afforded to the expected products. Tetrazolo[1,5-a]pyridines were efficiently prepared in good to excellent yields under very simple and mild conditions. The significant advantages of this strategy include creating two C–N, two C–C bond and a N-N bond in one-pot procedure, operational simplicity, solvent and catalyst-free conditions. Simple handling of the azide containing nanoparticles and thus lowering the risks and hazards of a chemical process can offer other important advantages.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829437","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling anxiolytic and anticonvulsant potential of ibuprofen acylhydrazones: a combined synthesis, quantum chemical calculations, molecular docking and in vivo study in adult zebrafish","authors":"Benise Ferreira da Silva,&nbsp;Maria Kueirislene Amâncio Ferreira,&nbsp;Antonio Wlisses da Silva,&nbsp;Roberto Lima de Albuquerque,&nbsp;Emmanuel Silva Marinho,&nbsp;Marcia Machado Marinho,&nbsp;Francisco das Chagas Lima Pinto,&nbsp;Francisco Ferdinando Mesquita Cajazeiras,&nbsp;Marisa Jádna Silva Frederico,&nbsp;Kelma Maria dos Santos Pires Cavalcante,&nbsp;Jesyka Macêdo Guedes,&nbsp;Jessica Bezerra Maciel,&nbsp;Andreia Ferreira de Castro Gomes,&nbsp;Jane Eire Silva Alencar de Menezes,&nbsp;Helcio Silva dos Santos","doi":"10.1007/s13738-026-03421-1","DOIUrl":"10.1007/s13738-026-03421-1","url":null,"abstract":"<div><p>Anxiety is characterized by persistent feelings of apprehension, worry and fear, which can lead to a significant reduction in quality of life and the development of other mental health conditions, such as depression. In this study, we investigated the effects of ibuprofen derivatives on anxiolytic and anticonvulsant behavior in an adult zebrafish model. In this study, we designed, synthesized and biologically evaluated new ibuprofen-derived acylhydrazones, integrating chemical synthesis, quantum chemical calculations, molecular docking and in vivo assays in adult zebrafish (Danio rerio). The results demonstrated that ibuprofen was converted to its hydrazide and subsequently condensed with 4-chlorobenzaldehyde to obtain the chlorinated acylhydrazone (HDZI IBU Cl), with structures confirmed by ¹H and ¹³C NMR spectroscopy. Density Functional Theory calculations revealed a HOMO–LUMO gap of 4.405 eV (vacuum) and increased electrophilicity in polar media, indicating favorable electronic stability. In vivo, both hydrazide and HDZI IBU Cl (0.1-1.0 mg/mL) showed no acute toxicity (LC₅₀ &gt; 1.0 mg/mL). In the light/dark test, both compounds significantly increased time spent in the light zone, indicating anxiolytic-like effects. In the PTZ-induced seizure model, HDZI IBU Cl (0.5 mg/mL) significantly delayed seizure stages. Flumazenil reversed the anticonvulsant effect, suggesting GABAA receptor involvement. Docking studies showed stable binding (RMSD &lt; 2 Å) and favourable binding energies (− 7.5 to − 9.5 kcal/mol), comparable to reference ligands E2J, CWD, FLX. In 5-HT2C and 5-HT3A receptors, HDZI IBU Cl interacted mainly through hydrophobic contacts with key active-site residues, sharing similarities with co-crystallized inhibitors. For GABAA, it exhibited strong affinity (− 8.9 kcal/mol) and interactions like diazepam, including hydrophobic, hydrogen bond, and π-cation interactions, suggesting a comparable modulatory mechanism. These results provide a promising basis for the development of new anticonvulsants and anxiolytics based on ibuprofen derivatives, highlighting the importance of structural modifications in optimizing therapeutic efficacy and minimizing cognitive side effects.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s13738-026-03421-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Molecular switching and nonlinear optical properties of benznidazole forms: a study via non-equilibrium Green’s function formalism and density functional theory","authors":"Mohammad Vakili,&nbsp;Amin Hamedian,&nbsp;Ayoub Kanaani,&nbsp;Silvia A. Brandán,&nbsp;Mahmood Akbari,&nbsp;Malik Maaza","doi":"10.1007/s13738-026-03400-6","DOIUrl":"10.1007/s13738-026-03400-6","url":null,"abstract":"<div><p>This study explores two fundamentally different behaviors of benznidazole in its various forms. First, the charge transport behavior describes how electric charges move through the molecule, while the nonlinear optical properties reflect how the material responds to intense electromagnetic fields. These behaviors were analyzed using the non-equilibrium Green’s function (NEGF) formalism combined with density functional theory (DFT). In this study, two s-cis forms (<i>C2</i> and <i>C4</i>) and one s-trans form were investigated as molecular switches, while <i>C2</i> and <i>C4</i> were specifically evaluated for nonlinear optical (NLO) activity. The influence of electrode material (Pt, Au, Ag) and binding sites (bridge, hollow, top) on transport efficiency was assessed, with platinum at the bridge site providing optimal current output and switching performance. Among all configurations, the <i>C4</i> form showed the highest current output (1556 nA). The current ratio between <i>C4</i> and <i>Trans</i> was maximal, indicating effective switching. This enhanced conductivity was associated with a narrower HOMO–LUMO energy gap and molecular projected self-consistent Hamiltonian (MPSH) orbitals. Additional descriptors, including transmission pathways, molecule–electrode coupling, transmission spectra, and stabilization energies (E²), further supported these findings. Beyond charge transport, benznidazole also exhibited a strong NLO response. Calculations revealed hyperpolarizability values far exceeding those of the benchmark urea. Complementary descriptors, including dipole moments, global hardness, and softness, reinforced the NLO activity, identifying the <i>C2</i> form as particularly efficient for optical modulation. These findings suggest that benznidazole-based systems hold strong promise for integration into nanoscale molecular electronics and photonic devices.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147796733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Colorimetric sensing of glucose based on Au-SBA-15 with peroxidase mimic activity","authors":"Mi-Gyong Pak,&nbsp;Kwang-Chon Pae,&nbsp;Chol-San Jon,&nbsp;Yun-Hui Ju,&nbsp;Yong-Gil Pak,&nbsp;Kum-Chol Ri","doi":"10.1007/s13738-026-03418-w","DOIUrl":"10.1007/s13738-026-03418-w","url":null,"abstract":"<div><p>In recent years, Au nanomaterials-based artificial peroxidase has been widely used for the determination of glucose due to their specific properties. Santa Barbara Amorphous-15 containing Au nanoparticles (Au-SBA-15) were prepared and discovered to function like peroxidase in this study. The peroxidase mimic activity of Au-SBA-15 was investigated using 3,3’,5,5’-tetramethylbenzidine (TMB) as a chromogen. The best catalytic activity was obtained at 40℃ and pH = 3.0. The color change and absorbance intensity are dependent on the concentration of H₂O₂, thus the direct determination of H₂O₂ and indirect detection of glucose were demonstrated using Au-SBA-15 with a limit of detections (LOD) of 0.4µM and 2.8µM, respectively. In addition, present method was applied for detection of glucose in 60% serum with a LOD of 11.4µM. Considering the excellent peroxidase mimic activity, Au-SBA-15 is expected to have potential applications in colorimetric detection of various substances.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147796861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Thermal degradation kinetics of tolfenamic acid in liquid media: a combined experimental and QSPR–machine learning study","authors":"Muhammad Nabeel,&nbsp;Sofia Ahmed,&nbsp;Muhammad Ali Sheraz,&nbsp;Reem Altaf,&nbsp;Umair Ilyas,&nbsp;Zubair Anwar,&nbsp;Ayesha Awan,&nbsp;Sadia Hafeez Kazi,&nbsp;Muneeba Usmani,&nbsp;Raahim Ali","doi":"10.1007/s13738-026-03431-z","DOIUrl":"10.1007/s13738-026-03431-z","url":null,"abstract":"<div>\u0000 \u0000 <p>The present work investigates the thermal stability and degradation kinetics of TA in aqueous–ethanolic mixtures (50–100% ethanol) at 90 °C over a wide pH range (2.0–12.0) using a validated stability-indicating HPLC method. TA exhibited apparent first-order degradation kinetics under all conditions studied. The rate–pH profile showed a marked increase in degradation rate with increasing pH, consistent with enhanced ionization/reactivity of TA in alkaline media. Solvent composition significantly modulated stability: degradation was minimal in 100% ethanol and maximal in 50% ethanol, underscoring the important roles of solvent polarity and viscosity in controlling degradation. Temperature effects (60–90 °C) were further evaluated at pH 9.0 in 0.1 M NaOH and in 50% ethanol, and thermodynamic parameters (Ea, A, ΔH‡, ΔS‡) were obtained from Arrhenius analysis, indicating faster degradation in alkali than in the aqueous–ethanolic system. To integrate experimental kinetics with theoretical descriptors, QSPR/ML models were developed to relate log₁₀ (<i>k</i>_obs) to pH, pH², ethanol fraction, dielectric constant (ε), and ln (viscosity). Cross-validated model performance was excellent for linear and regularized approaches (RMSE ≈ 0.058 log units for LM/GLMNET/SVR), while random forest performed less well (RMSE ≈ 0.090). Holdout validation confirmed strong predictive performance (RMSE 0.041–0.055; R2 0.974–0.985), with SVR yielding the lowest error. Variable-influence analyses identified pH as the dominant driver of degradation rate, with a negative pH² term capturing curvature; mixture descriptors contributed secondary effects and were highly collinear. An Eyring-style regression of ln (<i>k</i>/T) versus 1/T at pH 9.0 showed a significant medium effect, with 50% ethanol decreasing ln (<i>k</i>/T) by 0.939 (<i>p</i> &lt; 0.005), corresponding to ~2.6-fold lower <i>k</i>/T compared with NaOH at a given temperature.</p>\u0000 </div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147797019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation and characterization of thermochromic 4,4′-trimethylenedipiperidinium tetrachloronickelate complex and its silica hybrid composite","authors":"Seyed Abolghasem Kahani,&nbsp;Fatemeh Abdevali","doi":"10.1007/s13738-026-03426-w","DOIUrl":"10.1007/s13738-026-03426-w","url":null,"abstract":"<div><p>A Ni(II) complex was obtained from the reaction of nickel chloride and 4,4′-trimethylenedipiperidinium chloride (H₂TMDPCl₂). Moreover, this thermochromic complex was embedded in silica hybrid material and characterized, as well. The present study is dealing with comparing the thermochromic behavior of this compound including phase transition temperature in these two situations. The thermochromic compound was synthesized by mechanochemical method, while, the composite was prepared by sol-gel method at room temperature. They both exhibit a yellow-to-blue color transition under heating. The samples have been subjected to multiple heating/cooling cycles and the dark blue color at elevated temperature fully reverses to the original green-yellow color upon cooling. In order to study the structure and the thermochromic behavior of the complex, Fourier transform infrared spectroscopy (FTIR), diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), thermal analysis (TG/DTG/DSC), element analysis, X-ray diffraction (XRD) analysis were performed.</p></div>","PeriodicalId":676,"journal":{"name":"Journal of the Iranian Chemical Society","volume":"23 5","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147797008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}