Polyhedron最新文献

{"title":"A dual-emission samarium-macrocycle complex and its high-efficient fluorescence detection of water","authors":"Shuaibo Shi ,&nbsp;Sichen Li ,&nbsp;Shishen Zhang,&nbsp;Kun Zhang","doi":"10.1016/j.poly.2025.117650","DOIUrl":"10.1016/j.poly.2025.117650","url":null,"abstract":"<div><div>The development of highly selective and convenient fluorescence detection techniques to monitor water (H₂O) remains a major challenge in various domains. In this article, a novel fluorescence sensing molecule <strong>Sm-1</strong>_{<strong>f</strong>} [Sm(HL1_f)(NO₃)₂] is rationally designed and synthesized, and <strong>Sm-1</strong>_{<strong>f</strong>} consists of a samarium ion, one deprotonated [1 + 1] Schiff-base macrocycle HL1_f⁻ and two nitrates. This complex <strong>Sm-1</strong>_{<strong>f</strong>} then served as a solvent-response candidate in view of its dual-emission fluorescence and reversible structure. As a result, <strong>Sm-1</strong>_{<strong>f</strong>} shows the fast, selective and quantitative detection abilities for H₂O among 13 common solvents. After the systematic statistical analysis for fluorescence signals of two channels, <strong>Sm-1</strong>_{<strong>f</strong>} also demonstrates excellent discrimination of 11 solvents and several pairs of solvent analogues, especially the H₂O and D₂O. Mechanistic studies confirm that the H₂O-induced imine bond cleavage disrupts the sensitization effect of Schiff-base macrocycle which finally leads to a remarkable reduction of emission intensity. Furthermore, the smartphone-based RGB analytical technique enables the real-time and convenient detection of H₂O without any complicated apparatuses. This work not only provides a powerful fluorescence probe and convenient technique for H₂O detection but also expands the application of luminescent lanthanide materials.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117650"},"PeriodicalIF":2.4,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501457","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}

{"title":"Cd3Sc(BO3)3: a novel orthoborate with pseudo-1D ∞[ScB6O18] chains","authors":"Runqing Liu,&nbsp;Yuntian Zhao,&nbsp;Jiming Huang,&nbsp;Shibo Guan,&nbsp;Senling Leng","doi":"10.1016/j.poly.2025.117654","DOIUrl":"10.1016/j.poly.2025.117654","url":null,"abstract":"<div><div>A new mixed rare-earth metal borate, Cd₃Sc(BO₃)₃ was synthesized via a high-temperature solution method. Single-crystal X-ray diffraction reveals that it crystallizes in the trigonal space group <em>R</em><span><math><mover><mn>3</mn><mo>¯</mo></mover></math></span> (No. 148) with lattice parameters a = 11.5902(19) Å, c = 9.4230(14) Å, and Z = 6. The structure exhibits 1D _∞[ScB₆O₁₈] chains comprised of Sc-centered O octahedra and BO₃ triangles, and Cd atoms located in the space to balance charge. The synthesis, single crystal growth, thermal behavior, IR, Raman and UV–vis-NIR diffuse reflectance spectrums, luminescent property of the title compound have been characterized and analyzed. First-principles simulations for Cd₃Sc(BO₃)₃ have been employed to rationalize the correlations between the molecular structure and optical properties.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117654"},"PeriodicalIF":2.4,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144489750","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}

{"title":"Study on the luminescent properties of Dy3+-doped double perovskite LiYMgWO6 phosphors for WLED applications","authors":"Zhihui Zou ,&nbsp;Shuai Yang ,&nbsp;Yingchao Li","doi":"10.1016/j.poly.2025.117655","DOIUrl":"10.1016/j.poly.2025.117655","url":null,"abstract":"<div><div>In this study, phosphors of LiYMgWO₆:Dy³⁺ were created for the first time using a high-temperature solid-state synthesis technique. The purity of the phases and the chemical composition of the samples were analyzed through X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS), which validated the establishment of pure-phase LiYMgWO₆. Under 352 nm excitation, the Dy³⁺ ions exhibit characteristic emissions originating from the ⁴F_9/2 → (Fang et al., 2018 [<span><span>6</span></span>]⁾ H_J/2 (J = 11，13，15) transitions, resulting in blue, yellow, and red emission peaks. The photoluminescence properties were systematically investigated, and the optimal emission intensity was observed at a Dy³⁺ doping concentration of 0.04. The LiYMgWO₆:0.04Dy³⁺ phosphor exhibited a quantum efficiency of 40.7 %, with its emission intensity at 423 K maintaining 46.8 % of the intensity observed at room temperature (298 K). Additionally, a WLED fabricated by combining the synthesized yellow-emitting LiYMgWO₆:Dy³⁺ phosphor with a commercial blue phosphor (BAM: Eu²⁺) achieved a color rendering index (Ra) of 70 under 365 nm excitation. These findings indicate that the LiYMgWO₆:0.04Dy³⁺ yellow phosphor shows great potential as a candidate for UV-excitation WLED devices.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117655"},"PeriodicalIF":2.4,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144501458","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}

{"title":"Synthesis, structural characterization, Hirschfeld surface analysis and catalytic application of a new cd(II) complex bearing 1H-pyrazolo[3,4-b]pyridine-3-amine and pyridine carboxylic acid","authors":"Tai Xi-Shi ,&nbsp;Wang Li-Hua ,&nbsp;Saud I. Al-Resayes ,&nbsp;Mohammad Azam","doi":"10.1016/j.poly.2025.117647","DOIUrl":"10.1016/j.poly.2025.117647","url":null,"abstract":"<div><div>A new cadmium(II) complex, abbreviated as [Cd(L₁)₂(L₂)₂(H₂O)₂], was synthesized by reacting 6-phenylpyridine-2-carboxylic acid (HL₁), 1H-pyrazolo[3,4-<em>b</em>]pyridine-3-amine (L₂), sodium hydroxide, and cadmium nitrate tetrahydrate Cd(NO₃)₂·4H₂O. The structure of the complex was thoroughly analyzed using elemental analysis, infrared spectroscopy, UV–visible spectroscopy, thermogravimetric analysis, and single-crystal X-ray diffraction. The single-crystal analysis shows that the Cd(II) complex hexacoordinated with two oxygen atoms and two nitrogen atoms from the L₁ ligands, along with two nitrogen atoms from the L₂ ligands, and thus assume a distorted octahedral geometry. Hirschfeld surface analysis reveals that H···H interactions make the most significant contribution to the surface (44.7 %). The luminescent properties of the Cd(II) complex in ethanol revealed a prominent luminescence emission with a peak intensity at 477 nm upon excitation at a wavelength of 373 nm. In addition, the catalytic efficiency of the Cd(II) complex indicated it is an effective catalyst, achieving a moderate yield of 53 % while maintaining good selectivity for the oxidation of benzylic alcohol.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117647"},"PeriodicalIF":2.4,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144489751","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}

{"title":"Homo- and hetero-dinuclear CpFe and CpRu complexes of a 1,2,4-triazole-bis-Cp ligand with anticancer potential","authors":"Mario Mallea ,&nbsp;Ignacio Almendras ,&nbsp;Miguel Gallardo ,&nbsp;Pascal Roussel ,&nbsp;Natacha Henry ,&nbsp;Axel Steinbrueck ,&nbsp;Nils Metzler-Nolte ,&nbsp;Rodrigo Arancibia","doi":"10.1016/j.poly.2025.117648","DOIUrl":"10.1016/j.poly.2025.117648","url":null,"abstract":"<div><div>A homo- and a hetero-dinuclear organometallic complex, [(Cp)Fe(Cp)-CH(Tz)-(Cp)M(Cp)] (M = Fe (<strong>3a</strong>), Ru (<strong>3b</strong>); Cp- = cyclopentadienyl, Tz = 1,2,4-triazole), were prepared from carbinol precursors [(Cp)Fe(Cp)-CH(OH)-(Cp)M(Cp)] (M = Fe (<strong>2a</strong>), Ru (<strong>2b</strong>), and 1,2,4-triazole. Complexes <strong>3a</strong>-<strong>b</strong> were characterized by ¹H and ¹³C NMR spectroscopy, mass spectrometry (MS), and elemental analysis. The X-ray crystal structure of <strong>3a</strong> reveals two ferrocenyl units, whereas <strong>3b</strong> exhibits two Fe/Ru mixed-occupancy metal sites in a 1:1 ratio, along with disorder in the pendant Cp units in both structures. These findings are consistent with the MS data, which clearly show the [M]⁺ ion for <strong>3a</strong> (Fe/Fe) and <strong>3b</strong> (Fe/Ru), but no Fe/Fe or Ru/Ru species for <strong>3b</strong>. The antiproliferative activities of <strong>3a</strong> and <strong>3b</strong> were evaluated against HeLa, MCF-7, and HT-29 cancer cell lines, with IC₅₀ values ranging from 14 to 95 μM. For comparison, cisplatin exhibited IC₅₀ values between 0.33 and 22 μM under the same conditions.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117648"},"PeriodicalIF":2.4,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144480851","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}

{"title":"Dye adsorption selectivity in pristine and aluminum-doped MCM-41 mesoporous silica: A density functional theory investigation","authors":"Natthakit Singhanatkaisi ,&nbsp;Thitirat Sirihengcharoen ,&nbsp;Thanaphon Janyodha ,&nbsp;Piyachol Polnarai ,&nbsp;Kotchaphon Linthong ,&nbsp;Jonggol Tantirungrotechai ,&nbsp;Yuthana Tantirungrotechai","doi":"10.1016/j.poly.2025.117651","DOIUrl":"10.1016/j.poly.2025.117651","url":null,"abstract":"<div><div>The adsorption behaviors of cationic (methylene blue), neutral (neutral red), and anionic (methyl orange) dyes on pristine MCM-41 and aluminum-doped MCM-41 (Al-MCM-41) mesoporous silica represented as surface slab cluster model were investigated using ONIOM2(revPBE-D4/def2-SVP:GFN-FF) geometry optimizations and CPCM-revPBE-D4/def2-TZVP energy calculations. This study aims to elucidate molecular-level interactions and the impact of aluminum doping on dye adsorption selectivity. Methyl orange exhibited the strongest average adsorption energy on both MCM-41 (−42.17 ± 8.28 kcal/mol) and Al-MCM-41 (−38.49 ± 4.76 kcal/mol), likely due to multiple hydrogen bonds and reduced steric hindrance arising from its molecular shape and orientation. An independent <em>t</em>-test analysis was carried out to assess the statistically significant changes in the average adsorption energy upon doping. Aluminum substitution enhanced the averaged adsorption energy of cationic methylene blue (from −20.08 ± 6.24 to −23.31 ± 5.45 kcal/mol), while reducing that of anionic methyl orange. The adsorption of the neutral red dye remained statistically unchanged. These findings suggest that aluminum doping of MCM-41 can selectively enhance cationic dye adsorption from aqueous solutions, primarily through modified electrostatic interactions at the surface<strong>.</strong></div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117651"},"PeriodicalIF":2.4,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144489749","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}

{"title":"Cu(II) based metallomesogen complex for synthesis, design and characterization: Interplay of cyclam, fluorobenzoic acid, and hexadecyloxypyridine","authors":"Naima Sharmin ,&nbsp;Md. Jahidul Islam ,&nbsp;Md. Hafizul Islam ,&nbsp;Ajoy Kumer","doi":"10.1016/j.poly.2025.117649","DOIUrl":"10.1016/j.poly.2025.117649","url":null,"abstract":"<div><div>This research reports the synthesis of a novel multifunctional compound [Cu(Cy)(L)₂](X)₂.2H₂O which exhibiting a combination of intriguing properties. Among the four steps synthesis process, in the 1st step 4-Hexadecyloxy pyridine ligand (L) was prepared, where the 2nd step involved dinuclear copper complex formation [Cu₂(4-FC₆H₄COO)₄(CH₃CH₂OH)₂].2H₂O, the penultimate step lead the formation of the intermediate [Cu(Cy)(H₂O)₂](FC₆H₄COO)₂.2H₂O, and the final reaction of the intermediate with the ligand (L) to yield the desired metallomesogen, [Cu(Cy)(L)₂](FC₆H₄COO)₂.2H₂O as a dark-purple powder. Elemental analysis confirmed the chemical formula of the synthesized final complex as C₆₆H₁₀CuF₂N₆O₆, with calculated and found values for each element matching closely (calculated vs found; C: 67.1 % vs. 67.6 %, H: 9.1 % vs. 10.3 %, N: 7.1 % vs. 6.0 %). A distinctive d-d transition band at 547 nm indicates optical activity in the compound, pointing to a trans-III octahedral geometry around the Cu(II) ion. It also exhibits paramagnetic behavior with a magnetic moment of 1.7 B.M. Notably, the compound demonstrates excellent thermal stability up to 240 °C and exhibits ionic liquid character with low melting point of 44 °C observed by POM and multiple phase transitions elucidated by DSC. This facile synthesis approach has yielded a promising material with potential applications in various fields of material science, encompassing mesogenic, optical, magnetic, thermal, and ionic liquid properties.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117649"},"PeriodicalIF":2.4,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144371319","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}

{"title":"Zn(II), Cu(II), and Fe(III) complexes of 2-(((4-(Methylselanyl)phenyl)imino)methyl)phenol: Synthesis, characterization, and multidisciplinary investigations","authors":"Saad Shaaban ,&nbsp;Tarek A. Yousef ,&nbsp;Ahmed S.M. Al-Janabi ,&nbsp;Tarek Alammar ,&nbsp;Mohamed Alaasar ,&nbsp;Kamal Shalabi ,&nbsp;Ahmed A. Al-Karmalawy ,&nbsp;Hela Ferjani ,&nbsp;Abdullah Al-Dakhil ,&nbsp;Ahmed M. Abu-Dief","doi":"10.1016/j.poly.2025.117652","DOIUrl":"10.1016/j.poly.2025.117652","url":null,"abstract":"<div><div>Organoselenium (OSe) Schiff bases and their corresponding complexes have recently shown promising biological activities. In this work, the synthesis of a novel selenated Schiff base, namely 2-(((4-(methylselanyl)phenyl)imino)methyl)phenol (<strong>MeSeOH</strong>), is described, starting from 4-(methylselanyl)aniline and 2-hydroxybenzaldehyde. Furthermore, their Zn(II), Cu(II), and Fe(III) chelates were also synthesized and characterized using various spectroscopic techniques, and were found to exist in octahedral geometry. Moreover, their antimicrobial, antitumor, and antioxidant activities were evaluated against multiple pathogens, tumors, and healthy cells, as well as using the SOD and DPPH assays. Computational analysis revealed that the ligand exhibits lower reactivity relative to its metal complexes, based on the ΔE gap and η values, which represent the energy gap and hardness, respectively. The parameters examined in this study offered valuable insight into the bonding, electronic properties, reactivity, and polarity of the OSe compounds under investigation. Ultimately, these findings demonstrated that the synthesized OSe Schiff base complexes exhibited promising biological activity, thereby highlighting their potential application in drug design and development. The examined <strong>MeSeOH</strong> analogue together with its Fe, Cu, and Zn complexes were docked against the SARS-CoV-2 M^pro target (PDB ID: 2Z94) to investigate their anti-SARS-CoV-2 potential further. Overall, the OSe agents exhibited promising antitumor, antimicrobial, and antioxidant properties, and the docking and computational studies proposed their potential as anti-SARS-CoV-2 agents. Accordingly, these results highlight their considerable potential in drug design and development, especially for therapeutic investigations against cancer, microbial infections, and viral diseases.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117652"},"PeriodicalIF":2.4,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144517619","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}

{"title":"Synthesis of zinc ferrite perovskite nanoparticles by sol gel method for the degradation of binary and ternary solutions of cationic and anionic dyes","authors":"Vishnu Manirethan,&nbsp;Alvina Joseph,&nbsp;Libin George,&nbsp;Jithin Thomas,&nbsp;Jewel Thomas Mathew,&nbsp;Mugdha Parvathy Mohan,&nbsp;Rijin M.D. Tom","doi":"10.1016/j.poly.2025.117645","DOIUrl":"10.1016/j.poly.2025.117645","url":null,"abstract":"<div><div>Nanotechnologies, renowned for their size-tunable characteristics, have become pivotal in environmental engineering, offering promising avenues for degrading various contaminants. This study delves into the utilization of novel zinc ferrite perovskite nanoparticles for the photocatalytic degradation of MB Magenta, GL Toluidine Blue dye, M5B Reactive Red dyes, as well as binary mixtures thereof. Warm visible light was used to the photocatalytic degradation process. Investigations encompassed the analysis of degradation rates concerning time, dye loading, pH, and adsorbent dosage. Results indicate that at a catalyst dosage of 50 mg and 10 mg/L dye concentration, 99 % degradation was achieved within 50 min for individual dyes. pH variations and different dye and catalyst loadings also influenced degradation efficiency. Notably, degradation of dye mixtures revealed varying individual degradation rates and overall efficiencies of 85 % and 80 % for time and pH studies, respectively. Furthermore, ternary mixtures displayed 86 % efficiency for time study and 78 % for pH study. FTIR analysis indicated structural breakdown of dye molecules, while TOC reduction confirmed mineralization, together validating the occurrence of photocatalytic degradation. The study underscores the stable reusability of the catalyst. Zinc ferrite perovskite nanoparticles emerge as promising substitutes for dye removal from colored solutions, demonstrating significant potential in environmental remediation.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117645"},"PeriodicalIF":2.4,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144371315","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}

{"title":"Generation and reactivity of phosphoryl-substituted cobalt(III) isoporphyrins: Their relevance as oxidizing agents","authors":"Svetlana V. Zaitseva ,&nbsp;Sergey A. Zdanovich ,&nbsp;Elena Yu. Tyulyaeva ,&nbsp;Aleksey N. Kiselev ,&nbsp;Sergey A. Syrbu","doi":"10.1016/j.poly.2025.117643","DOIUrl":"10.1016/j.poly.2025.117643","url":null,"abstract":"<div><div>Chemical generation of high-oxidized species of phosphoryl-substituted Co(III)-tetraphenylporphyrinates in the reaction with peroxides are studied applying spectral and electrochemical methods. We determine the kinetic regularities and describe the possible mechanism of formation of the active species. The coordination capacity of cobalt porphyrinates is reported to be responsible for accessibility of high-oxidized intermediates afforded when tBuOOH expose. The complex-peroxide systems are studied using UV–visible, IR spectroscopy, mass-spectometry and cyclic voltammetry. Modificating the macroheterocyclic ligand in the complexes through the introduction of phosphoryl and methyl substituents, followed by conformational distortions of the ligand, as well as varying peroxide concentration are shown to affect the mechanism of generation and the identity of active species. The electrochemical and spectral studies are complemented with a quantum-chemical simulation. An comparative analysis of the energy state of the frontier molecular orbitals of the titled complexes and their oxidized species are performed to understand the distinctive properties of the phosphoryl-substituted cobalt isoporphyrins for the first time. Studied cobalt(III) isoporphyrins are found to have a lower HOMO-LUMO energy gap than parent complexes, which accounts for the appearance of UV–visible spectra at lower energy regions, their ease of reduction and possibility to be used as effective oxidants. The examined highly reactive species are capable of oxidizing β-carotene and methylene blue. The findings contribute to providing additional information about the structure−property relationship to predict the reactivity of the metalloporphyrin key intermediates for catalysis.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117643"},"PeriodicalIF":2.4,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144371310","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}