Walid Daoudi, Ahmad J. Obaidullah, Krishna Kumar Yadav, Mohnad Abdalla, Abdelmalik El Aatiaoui
{"title":"Integrated Experimental and Computational Study of Imidazopyridine Derivatives: Synthesis, DFT, Molecular Docking and Dynamic Simulations","authors":"Walid Daoudi, Ahmad J. Obaidullah, Krishna Kumar Yadav, Mohnad Abdalla, Abdelmalik El Aatiaoui","doi":"10.1002/aoc.70124","DOIUrl":"https://doi.org/10.1002/aoc.70124","url":null,"abstract":"<div>\u0000 \u0000 <p>In this study, we have synthesized imidazo[1,2-a] pyridine derivatives with NO (<b>EA</b><sub><b>02</b></sub>) and NH<sub>2</sub> (<b>EA</b><sub><b>03</b></sub>) functional groups. These groups have the advantage of providing sites for future branching to stabilize the molecule in the chosen target environment. The results obtained from our theoretical analyses (density functional theory, molecular orbital analysis, molecular electrostatic potential and Mulliken dynamics simulations) and the ADMET (absorption, distribution, metabolism, excretion and toxicity) score show that our derivatives are comparable with lapatinib (4-anilino-quinazoline), an inhibitor of the intracellular tyrosine kinase domains of the epidermal growth factor receptor (EGFR). What is more, our derivatives meet all the Lipinski, Muegge, Egan, Veber and Ghose rules for drug similarity.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Series of Luminescent [(Xantphos)CuILN] Complexes and Their Luminescence Sensing Properties for VOCs Detection and TD-DFT Calculation","authors":"Yi-Fan Jia, Li Song, Jun-Er Chen, Hong-Xiao Jin, Ding-Feng Jin, Yu Chen, Hang-Yan Shen, Wen-Xiang Chai","doi":"10.1002/aoc.70161","DOIUrl":"https://doi.org/10.1002/aoc.70161","url":null,"abstract":"<div>\u0000 \u0000 <p>The design and research of luminescent and volatile organic compounds (VOCs) fluorescent sensing/stimuli–response materials are of great significance and challenge. We report herein a series of new [(Xantphos)CuIL<sub>N</sub>] type complexes with tetrahedral CuIP<sub>2</sub>N coordination, showing luminescence from blue to red and luminescence sensing for VOCs detection (Xantphos is 4,5-bis (diphenylphosphino)-9,9-dimethylxanthene, L<sub>N</sub> is N-containing ligand). Firstly, six new complexes <b>1</b>–<b>6</b> were designed and ball-milling synthesized by the ligand-addition reaction of a raw material [(Xantphos)CuI] with different N-containing ligands 2-aminopyridine (<b>1</b>), 3-cyanopyridine (<b>2</b>), 4-cyanopyridine (<b>3</b>), 2-(3′-pyridyl)-benzoxazole (<b>4</b>), 3-I-4-aminopyridine (<b>5</b>), and imidazole (<b>6</b>). Time-dependent density functional theory (TD-DFT) calculations assign the low-energy band (absorption edge) of <b>1</b>–<b>6</b> in UV–Vis absorption as a mixed (XL + ML)CT transition, the corresponding (XL + ML)CT excited state is also thought to be the source of photoluminescence (PL). Material <b>4</b> has the highest PL efficiency (~44%), which may benefit from its greatest structural rigidity. Material <b>5</b> exhibiting the worst PL efficiency should be related to the iodine atom in the L<sub>N</sub> ligand (I dominate the highest unoccupied orbitals of the S<sub>1</sub> and T<sub>1</sub> states). Based on its very weak PL, the corresponding thin-film sensor (<b>5</b>) achieve significantly enhanced luminescence sensing (lighting-up mode) for pyridine and 4-methylpyridine vapor. The sensor also achieves the lowest detection limit (LOD = 2.51 ppm) and the fastest response speed (T<sub>50</sub> = 30 s) for pyridine. In addition, the series of materials also show interesting quenching and vapochromic luminescence sensing/stimuli–response for a variety of VOCs vapors.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809727","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jian Zhang, Feng Xu, Daniel Omoding, Aparna Kushwaha, Mohammad Khalid Parvez, Mohammed S. Al-Dosari, Abhinav Kumar, Jun-Cheng Jin
{"title":"New 5-Bromoisophthalate and 2,5-Di(pyridin-4-yl)phenol Appended Zn(II) Coordination Polymer as Recoverable Turn-Off–On Photoluminescent Sensor for Hydroxide Anion","authors":"Jian Zhang, Feng Xu, Daniel Omoding, Aparna Kushwaha, Mohammad Khalid Parvez, Mohammed S. Al-Dosari, Abhinav Kumar, Jun-Cheng Jin","doi":"10.1002/aoc.70150","DOIUrl":"https://doi.org/10.1002/aoc.70150","url":null,"abstract":"<div>\u0000 \u0000 <p>Coordination polymers (CPs) represent a diversified class of multidimensional materials that serve as luminescent sensors for detecting ions and molecules present in aquatic environment. In this study, a new Zn(II)-based CP, [Zn (BrIP)(DA)·0.3DMF] (<b>1</b>), incorporating 5-bromoisophthalate (BrIP) and 2,5-di(pyridin-4-yl)phenol (DA), is synthesized and characterized. This CP functions as a turn-off photoluminescent sensor for OH<sup>−</sup> anion detection through the formation of a <b>1</b>@OH<sup>−</sup> complex, exhibiting a limit of detection (LOD) of 1.64 × 10<sup>−4</sup> M and a Stern–Volmer constant (<i>K</i><sub>sv</sub>) of 2.62 × 10<sup>4</sup> M<sup>−1</sup>. Notably, the emission of <b>1</b>@OH<sup>−</sup> is restored in the presence of <i>p</i>-hydroxybenzoic acid (<i>p</i>-HBA). The sensing of <sup>−</sup>OH and emission restoration of <b>1</b> with <i>p</i>-HBA have been explained with theoretical calculations. The selective recovery of the emission response of <b>1</b> upon <i>p</i>-HBA addition, in contrast to other phenolic derivatives, is attributed to its higher <i>E</i><sub>HOMO</sub> and reduced steric hindrance compared with other oxidants investigated in this study.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Structure of Protonated Baclofen [AuCl4]−, Theoretical Elucidation and Biological Studies","authors":"Kumarjit Chowdhury, Manik Shit, Satyajit Halder, Arnab Samanta, Basudeb Dutta, Md. Ashif Ali, Kuladip Jana, Chittaranjan Sinha","doi":"10.1002/aoc.70142","DOIUrl":"https://doi.org/10.1002/aoc.70142","url":null,"abstract":"<div>\u0000 \u0000 <p>Baclofen (3-(4-chlorophenyl)butyric acid, HBAC), a useful medicine of CNS depressant, muscle relaxant, and GABA agonist, has been used to isolate Au (III) ionic solid, [H<sub>2</sub>BAC]<sup>+</sup>[AuCl<sub>4</sub>]<sup>−</sup> (<b>1</b>). The confirmed structure of <b>1</b> is established by the single crystal X-ray diffraction measurements along with various other physicochemical studies. The anticancer activity of <b>1</b> is evaluated on MCF-7, HeLa, MDA-MB-231, A549 cancer cells and has been compared with human normal lung fibroblast cell line (WI-38) and kidney epithelial cell line NKE. The results have been compared with <i>Cisplatin</i> as a standard reference. The toxicity of <b>1</b> is accounted from the MTT assay. Notably, the complex <b>1</b> has exhibited higher efficacy in inhibiting the proliferation of MCF-7 (IC<sub>50</sub>: 11.36 ± 1.58 μM) compared to other cancer cells, such as HeLa (IC<sub>50</sub>: 18.23 ± 2.31 μM), A549 (IC<sub>50</sub>: 32.09 ± 2.17 μM), and MDA-MB-231 (IC<sub>50</sub>: 27.07 ± 2.42 μM). A thorough examination of Hirshfeld surfaces and fingerprint plots were used for the comparison of intermolecular interactions, which are critical in the formation of various supramolecular designs. Using the crystallographic parameters of complex <b>1</b>, DFT computation determines the energy gap (ΔE = E<sub>HOMO</sub> – E<sub>LUMO</sub>), 2.50 eV, which is within the range of semiconducting materials and may help for anticarcinogenic action.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mahya Kohansal Moghadam, Hossein Eshghi, Sara S. E. Ghodsinia, Ali Shiri
{"title":"Highly Efficient CO₂ Fixation Into Cyclic Carbonates Catalyzed by Imidazolium-Functionalized Zn-Based MOFs","authors":"Mahya Kohansal Moghadam, Hossein Eshghi, Sara S. E. Ghodsinia, Ali Shiri","doi":"10.1002/aoc.70154","DOIUrl":"https://doi.org/10.1002/aoc.70154","url":null,"abstract":"<div>\u0000 \u0000 <p>The coupling between epoxide and carbon dioxide into cyclic carbonates in the absence of co-catalyst and solvents is a feasible strategy for removing CO<sub>2</sub> from the atmosphere and achieving a carbon-neutral cycle. In this context, two new bifunctional catalytic systems prepared by modification metal–organic frameworks (MOFs) with ionic liquids (ILs) and catalytic activities have been compared in converting CO<sub>2</sub> into cyclic carbonates. IL methylimidazolium bromide (MI-Br) is grafted into both Zn-MOF-NH<sub>2</sub> and Zn<sub>3</sub>(L)<sub>3</sub>(H<sub>2</sub>L) MOF to produce the dual-functional one-component systems with a high density of Lewis acidic Zn(II) metal sites and IL functional sites to carry out co-catalyst/solvent-free cycloaddition of CO<sub>2</sub> to epoxides. The characteristics of the MI-Br IL@MOFs were revealed via different techniques, including FE-SEM, EDX, FT-IR, XRD, N<sub>2</sub> adsorption, NH<sub>3</sub>-TPD, and ICP-OES. Further, two efficient catalysts act as excellent recyclable catalysts for 4 successive cycles without substantial loss in catalytic activity cycloaddition of CO<sub>2</sub> to epoxides to cyclic carbonates. Herein, a synergistic catalytic mechanism between Lewis acidic sites and Br<sup>−</sup> ions is proposed to carry out the cycloaddition of CO<sub>2</sub> to epoxides under co-catalyst/solvent-free conditions.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Ultrasensitive and Visualized Rapid Detection of Organophosphorus Pesticides Using Ultrathin 2D Eu3+@Cd-MOF Fluorescent Nanosheets","authors":"Guoxu Qin, Jiali Wang, Yaqiong Kong, Rong Wu, Duojun Cao, Xiangzi Li, Xiaoyong Xu","doi":"10.1002/aoc.70155","DOIUrl":"https://doi.org/10.1002/aoc.70155","url":null,"abstract":"<div>\u0000 \u0000 <p>Organophosphorus pesticides (OPs) are widely used worldwide. However, OPs residues can cause serious health problems. Traditional analytical approaches for OPs detection fail to offer simple, real-time, and visualization. Herein, Ultrathin Eu<sup>3+</sup>@Cd-MOF nanosheets with a thickness of 6 nm were synthesized via a simple solution route. Due to the antenna effect between 4,4′-dicarboxydiphenyl ether (H<sub>2</sub>OBA), 2,2′-bipyridine (BPY), and Eu<sup>3+</sup>, the as-prepared nanosheets displayed characteristic fluorescence emission of Eu<sup>3+</sup> ions at 616 nm under the excitation of 323 nm. The strong fluorescence was quenched by p-nitrophenyl phosphate (PNPP) without any interference from other pesticide in aqueous systems; Eu<sup>3+</sup>@Cd-MOF nanosheets can serve as a highly sensitive probe for visualizing fluorescence and detecting PNPP in water systems with a low LOD of 65 nM and a rapid response time of 20 s. A systematic investigation of the sensing mechanism indicated that the combination of the photoelectron transfer (PET) and the inner filter effect (IFT) resulted in the selective detection of PNPP. The luminescence detection approach offers a rapid, low-cost, and visualized detection method for PNPP remaining on fruits and vegetables surfaces.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Han Zhang, Sisi Wang, Jingshu Ban, Hao Li, Le Ruan, Fushun Tang
{"title":"Improvement of NO Selective Capture in Flue Gas by Structural Modification of Amine-Based Ni-AIP MOF","authors":"Han Zhang, Sisi Wang, Jingshu Ban, Hao Li, Le Ruan, Fushun Tang","doi":"10.1002/aoc.70148","DOIUrl":"https://doi.org/10.1002/aoc.70148","url":null,"abstract":"<div>\u0000 \u0000 <p>In this paper, the NO adsorption performances of Ni-AIP MOF and Ni-AIP-BPY MOF synthesized by solvothermal method were compared, and the NO adsorption selectivity of two samples for the simulated flue gas conditions has also been studied. The results indicated that the Ni-AIP-BPY exhibited better NO adsorption performance with an NO adsorption capacity of 115.52 cc·g<sup>−1</sup> at 100 kPa and ambient temperature and showed better adsorption selectivity with the highest adsorption selectivities of 937 and 10,691 for NO/CO<sub>2</sub> and NO/O<sub>2</sub>, respectively. Adsorption enthalpy calculations showed that Ni-AIP-BPY had a strong interaction force on NO, XPS and in-situ NO-FTIR results also confirmed that a strong adsorption occurred on the Ni metal center, and the main adsorptive products after NO adsorption were nitrate and nitrite. The introduction of a second ligand into the saturated coordination amine-containing complexes can improve the pore structure and coordination state of the materials, so that the complexes can activate unsaturated metal sites, thus significantly improving their adsorption and separation performance for NO gas molecules in flue gas. The results provided a new idea and understanding for the synthesis of materials for selective separation of NO components in flue gas.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Ni(II) and Cu(II) Complexes With a Tridentate (O,N,O) Azo Dye Antipyrine-Based Ligand: Synthesis, Spectral Characterization, Cytotoxicity, and In Silico Approaches","authors":"Azal S. Waheeb, Hussein A. K. Kyhoiesh","doi":"10.1002/aoc.70144","DOIUrl":"https://doi.org/10.1002/aoc.70144","url":null,"abstract":"<div>\u0000 \u0000 <p>The manuscript describes the simple and facile synthesis of a new azo-based ligand (E)-4-((5-amino-2-hydroxyphenyl)diazenyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (AHAP), and its coordination complexes (1–2) with various transition metals including nickel and copper, respectively. The ligand and each of the synthesized complexes were characterized by using various analytical techniques including melting point, molar conductivities, magnetic susceptibilities, elemental analysis (CHN), FT-Infrared, UV–Vis spectroscopy, mass spectra, <sup>1</sup>H and <sup>13</sup>C NMR, FE-SEM, XRD, and thermal analysis. The results showed that ligand chelated in tridentate mode (O,N,O), leading to octahedral geometry toward the present metal ions where Ni(II) and Cu(II) complexes exhibit outer sphere hybridization. The calculated particle size values of compounds reached 68.93, 71.52, and 77.94 nm for ligand, Ni(II), and Cu(II) chelates, respectively, applying the Debye–Scherrer equation on XRD patterns. The cytotoxicity of ligand and Cu(III)-complex (2) was evaluated by an MTT cytotoxic study against the lung cancer cell lines (A-549) and healthy human cell lines (HdFn). Cu(II) complex exhibited cytotoxicity that was greater than that of the ligand against A-549 cell line. It is promising to use the Cu(II) complex to create novel anticancer medications. Quantum chemical calculations for ligand and its solid metal complexes were carried out utilizing the DFT of the B3LYP module. Furthermore, molecular docking studies were conducted on the A-549 protein, associated with FGFR1 (PDB: 5UR1), using the MOE 2015 program. The ligand and the Ni(II) complex exhibit the most potent inhibitory effects on the FGFR1 protein, a receptor tyrosine kinase integral to cellular growth and differentiation. Additionally, in silico ADMET analysis predicted favorable pharmacokinetic and toxicity profiles for the synthesized molecules, indicating promising oral drug-like properties and nontoxic nature.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801778","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sankar Monika, Rengan Ramesh, Jan Grzegorz Malecki
{"title":"Binuclear Ruthenium (II) Complexes Featuring Arylthiourea Ligands: Synthesis, Crystal Structure and Anticancer Assessment","authors":"Sankar Monika, Rengan Ramesh, Jan Grzegorz Malecki","doi":"10.1002/aoc.70146","DOIUrl":"https://doi.org/10.1002/aoc.70146","url":null,"abstract":"<div>\u0000 \u0000 <p>A new set of arene binuclear Ru (II)complexes of the type [RuCl<sub>2</sub>(η<sup>6</sup>-<i>p</i>-cymene)(<i>η</i><sup>2</sup>-N^S-aroylthiourea)] has been synthesised to examine the effect on the cytotoxicity against human cancer cell lines. The formation of all the complexes (TC1–TC3) has been established with the aid of analytical and spectroscopic (infrared, UV–visible, NMR and mass) methods. The molecular structure of one of the complexes (TC1) was authenticated by single-crystal X-ray diffraction technique and concluded that the thiourea coordinated to each ruthenium (II) ion via hydrazine nitrogen and thiol sulphur to form a pseudo octahedral geometry around the ruthenium ions. Further, the antiproliferative activity of the complexes was evaluated with the help of MTT assay against human cancer cell lines such as HeLa (cervical cancer), MDA-MB-231 (breast cancer) and noncancerous L929 (mouse fibroblast) cell lines with the standard drug cisplatin. All the complexes exhibit significant cytotoxicity against cancel cell lines selected, and the highest was observed in the HeLa cell line, which articulates the specificity of these complexes towards the HeLa cancer cell line. Among them, complex TC2 shows high inhibitory effect with low IC<sub>50</sub> values against all the cancer cell line tested. This may be due to the presence of an electron-releasing methyl substituent of the ligand, which subsequently increased hydrophobicity. In addition, the apoptotic cell death mechanism of the all the complexes in HeLa cells was evaluated by biochemical assays such as AO-EB, DAPI and flow cytometry assays.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Luminescent Binuclear Pd (II) N^C^N-Pincer Complexes With N^N Bridging Ligand","authors":"Xiaping Zhu, Yunjun Shen, Yuzhen Zhang","doi":"10.1002/aoc.70152","DOIUrl":"https://doi.org/10.1002/aoc.70152","url":null,"abstract":"<div>\u0000 \u0000 <p>Two novel binuclear cyclometalated Pd (II) complexes with two tridentate phenylpyridine ligands and a N^N ligand were readily synthesized. Both structures were unambiguously characterized via X-ray single crystal diffraction, nuclear magnetic resonance (NMR) spectra, and high-resolution mass spectrometry (HRMS). The crystal structure data reveals that the Pd–Pd distances of [Pd(1,3-di(2-pyridyl)benzene)]<sub>2</sub>(Dpf) (DpfH = <i>N</i>,<i>N</i>′-diphenyl formamidine) <b>Pd1</b> and [Pd(1,3-di(2-pyridyl)benzene]<sub>2</sub>(<i>α</i>-Car) (<i>α</i>-CarH = <i>α</i>-carboline) <b>Pd2</b> measure 3.0046(3) and 3.1518(8) Å, respectively. The absorption spectra of <b>Pd1</b> and <b>Pd2</b> display metal–metal-to-ligand charge transfer (MMLCT) transitions. In the solid state, they show triplet emissions at 635 and 607 nm, respectively. While in 1 wt% PMMA film, the emission peaks are located at 602 and 571 nm, respectively. In contrast, both complexes show very weak emission in the solution state, and their maximum emission wavelengths are significantly red-shifted. Based on their photophysical properties, the <b>Pd1</b> in 1 wt% PMMA films on quartz squares was placed in different organic or acid solvents for 30 min and then was utilized to detect organic solvent vapor. The film showed unique emission quenching for the vapor of acetone.</p>\u0000 </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 5","pages":""},"PeriodicalIF":3.7,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}