Inorganica Chimica Acta最新文献

{"title":"Construction of dual-ligand samarium(III)-MOF fluorescent sensor: An efficient platform for selectivity detection of antibiotic tetracycline","authors":"Pengchao Wu ,&nbsp;Hongxi Li ,&nbsp;Xiaoyang Zhao ,&nbsp;Wenyuan Zhao","doi":"10.1016/j.ica.2025.122624","DOIUrl":"10.1016/j.ica.2025.122624","url":null,"abstract":"<div><div>The proliferation of antibiotic resistance associated with tetracycline (TC) has emerged as a significant threat to global public health and safety. Therefore, the accurate quantification of TC concentrations and assessment of its environmental impact are critical steps in evaluating pollution risks. However, the development of portable and practical methods for detecting tetracycline (TC) in aquatic environments remains a significant challenge. Herein, a samarium-based metal-organic framework (Sm-MOF) was constructed through a solvothermal approach, utilizing pyromellitic acid (H₄BTEC) and nicotinic acid (HNTCA) as dual ligands. The resulting 3D framework was stabilized through a synergistic interplay of coordination bonds and hydrogen bonding interactions, endowing the structure with exceptional stability for functional applications. Notably, the Sm-MOF exhibited a distinct fluorescence quenching response upon selective recognition of TC, even in the presence of multiple interfering species, highlighting its potential for precise detection in complex environments. The experimental results demonstrated that the Sm-MOF exhibited significant potential as a highly effective sensor material for TC detection, characterized by its rapid response time, exceptional anti-interference performance, and excellent recyclability. Moreover, DFT calculations revealed that the fluorescence quenching mechanism of Sm-MOF for TC was primarily governed by fluorescence resonance energy transfer (FRET) and photoinduced electron transfer (PET).</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122624"},"PeriodicalIF":2.7,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577753","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":"Syntheses, crystal structures, and magnetic properties of cyanido-bridged one- and two-dimensional Ln(III)-Fe(III) coordination polymers","authors":"Hao-Yi Huang ,&nbsp;Hong Li ,&nbsp;Xingwei Cai ,&nbsp;Shuyang Chen ,&nbsp;Shaojun Zheng ,&nbsp;Lulu Li ,&nbsp;Peipei Cen ,&nbsp;Lei Chen","doi":"10.1016/j.ica.2025.122621","DOIUrl":"10.1016/j.ica.2025.122621","url":null,"abstract":"<div><div>Two new heterometallic coordination polymers, [Dy(<em>TPA</em>)Fe(CN₆)(H₂O)₂]·4H₂O (<strong>1-Dy</strong>) and [Gd₂(TPA)₂Fe₂(CN₆)₂(CH₃OH)₂]·8.5H₂O (<strong>2-Gd</strong>) were synthesized by reacting DyCl₃·6H₂O with K₃[Fe(CN)₆] and tri[(2-pyridyl)methyl]amine (TPA). The structures of both complexes were established by single crystal X-ray diffraction. Polymer <strong>1-Dy</strong> exhibits a one-dimensional (1D) chain structure formed by [Fe(CN)₆]³⁻ bridging the [Dy(TPA)(H₂O)₂]³⁺ units. For polymer <strong>2-Gd</strong>, each [Fe(CN)₆]³⁻ unit is connected to three [Gd(TPA)(CH₃OH)]³⁺ units through three nearly coplanar CN groups, forming a near-rectangular grid Gd₂Fe₂. These Gd₂Fe₂ extend to generate a 2-dimensional (2D) monolayered topology, which represents a cyclic formation of a novel grid structure. Hydrogen bonding interactions via water molecules stabilize both structures. Magnetic susceptibility measurements indicate weak antiferromagnetic interactions between Ln(III) and Fe(III) ions, with Fe(III) and Ln(III) centers behaving as nearly isolated magnetic entities.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122621"},"PeriodicalIF":2.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143563296","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":"Water-phase synthesis of nano-hierarchical porous metal–organic frameworks for removal of uranium (VI) from aqueous solution","authors":"Kai Zheng ,&nbsp;Kaikai Zhao ,&nbsp;Weibiao Guo ,&nbsp;Xuquan Liu ,&nbsp;Yu Liang ,&nbsp;Kuan Liang ,&nbsp;Qianjun Deng ,&nbsp;Hongxia Xi ,&nbsp;Pengfei Yang ,&nbsp;Xuejiao Sun ,&nbsp;Chongxiong Duan","doi":"10.1016/j.ica.2025.122623","DOIUrl":"10.1016/j.ica.2025.122623","url":null,"abstract":"<div><div>With the increasing reliance on nuclear energy and the potential environmental release of uranium radionuclides, public concern regarding uranium pollution has steadily grown. Metal-organic frameworks (MOFs), known for their abundant active sites and unique porous structures, exhibit significant promise in addressing uranium-related challenges. In this study, a nano-hierarchical porous structure of Cu-BTC (NH-Cu-BTC) was synthesized at room temperature and atmospheric pressure, utilizing <em>N,N</em>-dimethylethylenediamine as a templating agent in the aqueous phase. The impact of activation on the porosity characteristics of NH-Cu-BTC was investigated. The as-synthesized NH-Cu-BTC possessed micropores, mesopores, and macropores, with crystal sizes approximately 150 nm. Through simulation calculations, the electrostatic potential and orbital energies of the templating agent molecule were analyzed to elucidate the synthesis mechanism. Various factors influencing the adsorption of uranium (VI) by NH-Cu-BTC, including pH, contact time, and temperature, were explored, and the underlying adsorption mechanisms were elaborated. Compared to C-Cu-BTC, NH-Cu-BTC exhibited a 32.8 % enhancement in its adsorption capacity for uranium (VI). This investigation furnishes precious comprehension regarding the fabrication and utilization of porous substances, proffering a novel tactic for proficiently eliminating uranium (VI) from aqueous mediums.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122623"},"PeriodicalIF":2.7,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551757","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":"Structure and reactivity in reactions of dimethyltin(IV) di(azide) and di(isocyanate) with dimethylplatinum(II) complexes","authors":"Badri Z. Momeni ,&nbsp;Nastaran Fathi ,&nbsp;Abbas Biglari ,&nbsp;Reza Fallahpour ,&nbsp;Jan Janczak ,&nbsp;Richard J. Puddephatt","doi":"10.1016/j.ica.2025.122613","DOIUrl":"10.1016/j.ica.2025.122613","url":null,"abstract":"<div><div><em>In situ</em> reaction of SnMe₂Cl₂ with NaN₃ or KOCN in methanol or a mixture of acetone/H₂O solution has resulted in the formation of SnMe₂(N₃)₂ (<strong>1a</strong>) and SnMe₂(NCO)₂ (<strong>1b</strong>) complexes, respectively. The reaction of dimethylplatinum(II) complexes [PtMe₂(NN)], NN = bpy (bpy = 2,2′-bipyridine) or 4,4′-Me₂bpy (4,4′-Me₂bpy <strong>=</strong> 4,4′-dimethyl-2,2′-dipyridine), with <strong>1a</strong> or <strong>1b</strong> occurs initially by oxidative addition but the initial platinum(IV) products [PtXMe₂(SnMe₂X)(NN)], decompose during attempted isolation to give new organoplatinum(II)/(IV) complexes that contain Pt-N₃ or Pt-NCO bonds, several of which were characterized crystallographically. The reaction of electron-rich complex [PtMe₂(bpy)] (bpy = 2,2′-bipyridine) with <strong>1a</strong> resulted in the formation of the new Pt(IV) complex <em>fac</em>-[PtMe₃(N₃)(bpy)] (<strong>2</strong>). However, the similar reaction of <strong>1a</strong> or <strong>1b</strong> with [PtMe₂(4,4′-Me₂bpy)] (4,4′-Me₂bpy <strong>=</strong> 4,4′-dimethyl-2,2′-dipyridine) gave the corresponding Pt(II) complexes [PtMe(N₃)(4,4′-Me₂bpy)] (<strong>3</strong>), or [PtMe(NCO)(4,4′-Me₂bpy)] (<strong>4</strong>), respectively. The reaction of [PtMe₂(4,4′-Me₂bpy)] or [PtMe₂(bpy)] with SnMe₂Cl₂, followed by addition of KOCN, gave [PtCl₂(4,4′-Me₂bpy)] (<strong>5</strong>) or <em>fac</em>-[PtMe₃Cl(bpy)] (<strong>6</strong>), respectively. The crystal architecture in compounds <strong>2</strong>–<strong>4</strong> and <strong>6</strong> is stabilized by weak hydrogen bonds and π···π interactions. Further insight was obtained by monitoring the reactions <em>in situ</em> using multinuclear (¹H, ¹³C, ¹¹⁹Sn, ¹⁹⁵Pt) NMR spectroscopy in different solvents and by DFT calculations.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122613"},"PeriodicalIF":2.7,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551676","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":"Porphyrins functionalization by alkenyl compounds using the Heck cross-coupling reaction. Insights on methodologies and reaction products","authors":"Angelo Lembo,&nbsp;Miriam Demingo,&nbsp;Marilena Carbone,&nbsp;Pietro Tagliatesta","doi":"10.1016/j.ica.2025.122598","DOIUrl":"10.1016/j.ica.2025.122598","url":null,"abstract":"<div><div>Porphyrins are peculiar molecules with very interesting photochemical properties, generally their absorption spectrum typically spans from 350 nm to 650 or 590 nm for the free-base or metal-complex porphyrins, respectively. This wide absorption window makes them suitable candidates for many different applications dealing with light interaction, as need in the new emerging solar cells technologies, in the non-linear optics field and in medical applications such as bioimaging and photodynamic therapy (PDT). By introducing substituents at the <em>meso</em>- or <em>beta</em>-pyrrole position, the porphyrin absorption spectrum can be modified according to the requirements of the different application fields. One of the most effective way to deep affect the UV–vis spectrum of porphyrins is to extend the π-electron system of the tetrapyrrole ring. This can be achieved by introducing triple or double C<img>C bonds directly connected at <em>meso</em>- or <em>beta</em>-position. However, while the introduction of a simple triple bond and, more in general, alkynes exploiting Sonogashira reaction is widely used in porphyrin chemistry affording very high yields, the introduction of a double bond or alkenyl compounds with a well-defined stereochemistry through classical reactions or palladium-catalyzed cross-coupling reactions still remains problematic in terms of hard reaction conditions, excess of alkene reagents, by-products formation. In this review we want to report the synthetic methods described in the literature for obtaining <em>meso</em>- and <em>beta</em>-functionalized porphyrins by means of coupling alkenyl derivatives with porphyrins and metalloporphyrins, thorough the use of the Heck cross-coupling reaction that, if on one hand, is well consolidated with canonical reagents (e.g. with simple aryl-halides, either bromo- or iodo-, or even aryltriflates) on the other side it can be very tricky when <em>meso-</em> or- <em>beta-</em>brominated porphyrin are used. Nevertheless the Heck cross-coupling reaction still remains one of the most versatile synthetic methodology to modify the porphyrin core and, consequently, the optical properties of the tetrapyrrole macrocycle. We will briefly discuss which results can be obtained when bromoporphyins are used as starting aryl-halide and show the last achievements of such coupling by the use of the modern palladium transmetallation reactions.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122598"},"PeriodicalIF":2.7,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143535405","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":"PEPPSI-type N-heterocyclic carbene palladium(II) complexes as catalysts in the direct C5 arylation of furan and thiophene","authors":"Arda Atakol ,&nbsp;Beyhan Yiğit ,&nbsp;Hasan Akdan ,&nbsp;Enes Evren ,&nbsp;Duygu Barut Celepci ,&nbsp;Murat Yiğit ,&nbsp;Muhittin Aygün ,&nbsp;İsmail Özdemir","doi":"10.1016/j.ica.2025.122612","DOIUrl":"10.1016/j.ica.2025.122612","url":null,"abstract":"<div><div>In this study, a series of amine-functionalized benzimidazolium salts and their PEPPSI-type N-heterocyclic carbene (NHC) palladium(II) complexes <strong>3a-e</strong> were synthesized and characterized by FT-IR, ¹H NMR and ¹³C NMR spectroscopy, elemental analysis, and mass spectrometry. The molecular and crystal structure of <strong>3c</strong> and <strong>3d</strong> was confirmed by the single-crystal X-ray diffraction (SC-XRD) method. Structural analysis reveals that the geometries of the Pd^II centers of the complexes adopt slightly distorted <em>square planar</em> environment. The new palladium complexes were tested as catalysts in the direct C5 arylation of 2-acetylfuran and 2-acetylthiophene with aryl bromides at 120 °C in <em>N,N</em>-dimethylacetamide. The arylation reactions proceeded selectively at the C5 position of the heteroaromatic compounds, and the corresponding coupling products were obtained in moderate to good yields by using 1 mol% of the palladium complex. Also, solid computational validation of the experimental results was achieved by geometric optimizations, frontier molecular orbital and molecular electrostatic potential studies, as well as natural bonding orbital analysis utilizing density functional theory.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"580 ","pages":"Article 122612"},"PeriodicalIF":2.7,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509539","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":"An efficient ICD inducer based on Ir(III) cyclometalated complex for anticancer and anti-migration effects towards cisplatin-resistant cancer cells","authors":"Jingyue Zhao ,&nbsp;Xiangyu Dai ,&nbsp;Mengdi Lv ,&nbsp;Hanxue Liu,&nbsp;Meng Ren,&nbsp;Guojing Hu,&nbsp;Xuling Xue,&nbsp;Hong-Ke Liu","doi":"10.1016/j.ica.2025.122601","DOIUrl":"10.1016/j.ica.2025.122601","url":null,"abstract":"<div><div>The clinical use of metal-based anticancer drugs is constrained by challenges like significant side effects and the development of drug resistance. In recent years, metal-based immunogenic cell death (ICD) inducers have attracted significant research interest for their potential in both chemotherapy and immunotherapy. Herein, we present a novel cyclometalated iridium(III) complex <strong>Ir-NPX</strong> with the COX-2 inhibitor naproxen (NPX) as a ligand, serving as an ICD inducer. <strong>Ir-NPX</strong> not only showed remarkable antitumor efficacy, notably in targeting cisplatin-resistant A549R cells, but also could inhibit the proliferation of 3D multicellular tumor spheroids. More importantly, <strong>Ir-NPX</strong> could induce severe mitochondrial injury and endoplasmic reticulum (ER) stress, lead to elevated intracellular free Ca²⁺ levels, and ultimately trigger the ICD effect in A549R cells. This approach of integrating bioactive molecules with metal species paved the way for the development of novel metal-based drugs for combined chemo-immunotherapy in cancer treatment.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"580 ","pages":"Article 122601"},"PeriodicalIF":2.7,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143521039","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":"Correction to “Evaluation of DNA binding and DNA cleavage of nickel(II) complexes with tridentate α-N-heterocyclic thiosemicarbazones ligands” [Inorganica Chimica Acta 471 (2018) 194–202]","authors":"JunGang Deng ,&nbsp;Gaoxing Su ,&nbsp;Peng Chen ,&nbsp;Yunpeng Du ,&nbsp;Yi Gou ,&nbsp;Yani Liu","doi":"10.1016/j.ica.2025.122597","DOIUrl":"10.1016/j.ica.2025.122597","url":null,"abstract":"","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"580 ","pages":"Article 122597"},"PeriodicalIF":2.7,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143563642","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Revealing a new electroneutral uranium oxide hydrate phase with a framework structure in triclinic space group","authors":"Yingjie Zhang,&nbsp;Timothy A. Ablott,&nbsp;Tao Wei","doi":"10.1016/j.ica.2025.122611","DOIUrl":"10.1016/j.ica.2025.122611","url":null,"abstract":"<div><div>Uranium hydrolysis processes and associated products are fundamentally important especially to uranium geochemistry and the nuclear fuel cycle. Herein, we report the formation and characterisation of a new electroneutral uranium oxide hydrate framework (UOHF), U(H₂O)₈[(UO₂)₁₀UO₁₃(OH)₄] (<strong>UOHF2</strong>), using both structural and spectroscopic techniques. As a minor phase from the hydrothermal uranium hydrolysis in the presence of Cu(II) ions, compound <strong>UOHF2</strong> crystallises in the triclinic <em>P</em><span><math><mover><mn>1</mn><mo>¯</mo></mover></math></span> space group having a framework structure constructed with β-U₃O₈ type layers pillared by double pentagonal uranium bipyramids and tetravalent U(IV) ions sitting inside the framework channels. The crystal structure has been revealed using synchrotron single crystal X-ray diffraction and confirmed by electron diffraction with transmission electron microscopy. The characteristic vibrational modes due to the presence of various hexavalent uranium centres were revealed by Raman spectroscopy. The successful synthesis and characterisation of <strong>UOHF2</strong>, together with an earlier reported U(H₂O)₂[(UO₂)₁₀O₁₀(OH)₂(UO₄)(H₂O)₂] (<strong>UOHF1</strong>), highlights the complex nature of uranium hydrolysis processes and its related products, with direct implications to fundamental uranium chemistry, geochemistry and the current nuclear fuel cycle.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"580 ","pages":"Article 122611"},"PeriodicalIF":2.7,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143521040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"One-pot synthesis of 2,4,5-triarylimidazole and phenanthro[9,10-d]imidazole derivatives catalyzed by a new set of crystalline aluminium(III) complexes via CN bond formation","authors":"Mahabarathi Subramaniyan,&nbsp;Madhvesh Pathak","doi":"10.1016/j.ica.2025.122596","DOIUrl":"10.1016/j.ica.2025.122596","url":null,"abstract":"<div><div>A series of three new along with one existing hexacoordinated heteroleptic derivatives of aluminium(III) as <strong>[(C</strong>_{<strong>6</strong>}<strong>H</strong>_{<strong>5</strong>}<strong>COCHCOC</strong>_{<strong>6</strong>}<strong>H</strong>_{<strong>5</strong>}<strong>)Al(1a-1d)].H</strong>_{<strong>2</strong>}<strong>O {</strong>where <strong>1a-1d</strong> are dianionic [ONO]-tridentate ancillary ligands} was synthesized quantitively by treating Al(OPr^<em>i</em>)₃ with Schiff bases (<strong>1a-1d</strong>) and dibenzoyl methane in a 1:1:1 ratio using anhydrous benzene as a solvent. As <strong>2a</strong> was already reported by this research team only so the new derivatives (<strong>2b-2d</strong>) were characterized using appropriate analytical techniques such as FTIR, UV–Vis, NMR (¹H, ¹³C &amp; DEPT-135) and HRMS. Specifically, SC-XRD authenticated the molecular structures of complexes of <strong>2a, 2b</strong> and <strong>2d</strong>. The developed crystals verified the hexacoordination around the central metal aluminium encircled with five oxygen atoms and one that of nitrogen. These trio crystals appeared as triclinic with a space group of <em>P</em><span><math><mover><mrow><mn>1</mn><mspace></mspace></mrow><mo>¯</mo></mover></math></span> and Z values 2, 4 and 4, respectively<em>.</em> Subsequently, computational investigation of the aluminium(III) derivatives was carried out using DFT/B3LYP/LanL2DZ method in Gaussian(09) software. Further, the optimized molecular structures were derived from B3LYP/6-311G(d,p) and the results were rationalized with the support of TD-DFT calculations. Afterwards, synthesis of a substituted five membered heterocyclic compounds were carried out in an ethanolic solution of benzil/9,10-phenanthrenequinone, substituted aldehydes and ammonium acetate (nitrogen source) as a substrate while employing aforementioned all four aluminium(III) complexes as catalyst. These organic compounds were characterized by spectral tools like NMR (¹H &amp; ¹³C) and FTIR. Furthermore, nitro derivative <strong>6c’</strong> was validated by SC-XRD that appeared as monoclinic system with space group of <em>P</em>2₁/n. This study is the foremost approach to utilize aluminium(III) complexes as catalyst for the condensation reaction of 2,4,5-triarylimidazole and phenanthro[9,10-<em>d</em>]imidazole where obtained organic derivatives were synthesized in 83–95 % yields.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"580 ","pages":"Article 122596"},"PeriodicalIF":2.7,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143510949","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}