Journal of Organometallic Chemistry最新文献

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A review of cellulose-supported metal nanoparticle as a green nanocatalyst in Suzuki reactions 纤维素负载金属纳米颗粒作为铃木反应绿色纳米催化剂的研究进展
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-10-30 DOI: 10.1016/j.jorganchem.2025.123916
Sara Payamifar, Ahmad Poursattar Marjani
{"title":"A review of cellulose-supported metal nanoparticle as a green nanocatalyst in Suzuki reactions","authors":"Sara Payamifar,&nbsp;Ahmad Poursattar Marjani","doi":"10.1016/j.jorganchem.2025.123916","DOIUrl":"10.1016/j.jorganchem.2025.123916","url":null,"abstract":"<div><div>Cellulose-supported metal nanoparticles have emerged as an eco-friendly, sustainable catalyst system for Suzuki reactions, offering an alternative to traditional catalysts. Cellulose, a natural, abundant, biodegradable, and chemically modifiable polymer, serves as an excellent support due to its high thermal stability and abundant hydroxyl groups, which facilitate effective immobilization of metal nanoparticles. The distinctive attributes of metal nanoparticles, including high surface-to-volume ratio, tunable morphology, and enhanced catalytic activity, are further enhanced by cellulose support, resulting in catalysts that are highly active, selective, and easily recoverable. These cellulose-supported catalysts demonstrate excellent functional group tolerance and recyclability, maintaining catalytic efficiency over multiple cycles through simple separation methods such as centrifugation or filtration. Overall, cellulose-supported metal nanoparticles represent a promising class of green heterogeneous catalysts for sustainable organic synthesis with potential industrial applications. This review summarizes key findings from recent research on cellulose-supported metal nanoparticles in Suzuki reactions (covering 2020–2025), emphasizing green, recyclable catalytic systems with high performance and environmental benefits.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1043 ","pages":"Article 123916"},"PeriodicalIF":2.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A comparison of how the N-oxide functional group modulates the properties of a Ru(II) and an Ir(III) complex n -氧化物官能团如何调节Ru(II)和Ir(III)配合物的性质的比较
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-11-04 DOI: 10.1016/j.jorganchem.2025.123932
Barbara C. Higgs , Bre-Anna N. Willis , Vinesah A.M. Goodwin , Gaël Ung , Colin D. McMillen , Eloise K. Burick , Jorge Barroso , Jared A. Pienkos
{"title":"A comparison of how the N-oxide functional group modulates the properties of a Ru(II) and an Ir(III) complex","authors":"Barbara C. Higgs ,&nbsp;Bre-Anna N. Willis ,&nbsp;Vinesah A.M. Goodwin ,&nbsp;Gaël Ung ,&nbsp;Colin D. McMillen ,&nbsp;Eloise K. Burick ,&nbsp;Jorge Barroso ,&nbsp;Jared A. Pienkos","doi":"10.1016/j.jorganchem.2025.123932","DOIUrl":"10.1016/j.jorganchem.2025.123932","url":null,"abstract":"<div><div>The <em>N</em>-oxide functional group is commonly utilized in medicinal applications (i.e., imaging agents); however, its presence in transition metal chemistry is limited. To investigate the impact of an <em>N</em>-oxide functional group on the properties of organometallic complexes, <em>N</em>-oxide-containing Ir(III) and Ru(II) heteroleptic transition metal complexes and corresponding non-<em>N</em>-oxide congeners were synthesized (yields &gt; 67%). These four species were characterized by NMR spectroscopy, IR spectroscopy, UV–visible spectroscopy, emission spectroscopy, high-resolution mass spectroscopy, cyclic voltammetry, elemental analysis, and single-crystal X-ray diffraction. The presence of an <em>N</em>-oxide functional group red-shifts the emission of the Ir(III) species (Δ 37 nm, 810 cm<sup>-1</sup>) and has little impact on the emission of the Ru(II) species. Calculated HOMO and LUMO surfaces suggested, and cyclic voltammetry data supported, that the Ir(III) compounds undergo an interligand (L→L') energy transfer involving this <em>N</em>-oxide, and the Ru(II) compounds undergo a metal-to-ligand charge transfer (MLCT) that does not involve the <em>N</em>-oxide.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1043 ","pages":"Article 123932"},"PeriodicalIF":2.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145463806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
1,2,3-Triazoles in corrosion protection: Chemistry, ligand properties, coordination bonding and interfacial behavior 1,2,3-三唑在防腐中的应用:化学、配体性质、配位键和界面行为
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-10-20 DOI: 10.1016/j.jorganchem.2025.123900
Chandrabhan Verma , Lipiar K.M.O. Goni , Ibrahim Y. Yaagoob , Renad A. Alyami , Akram Alfantazi , Mohammad A. Jafar Mazumder
{"title":"1,2,3-Triazoles in corrosion protection: Chemistry, ligand properties, coordination bonding and interfacial behavior","authors":"Chandrabhan Verma ,&nbsp;Lipiar K.M.O. Goni ,&nbsp;Ibrahim Y. Yaagoob ,&nbsp;Renad A. Alyami ,&nbsp;Akram Alfantazi ,&nbsp;Mohammad A. Jafar Mazumder","doi":"10.1016/j.jorganchem.2025.123900","DOIUrl":"10.1016/j.jorganchem.2025.123900","url":null,"abstract":"<div><div>1,2,3-Triazoles have emerged as nitrogen-rich heterocycles with multifunctional applications in corrosion protection, owing to their versatile coordination chemistry, chemical stability, tailorable physicochemical properties, unique electron structure, and broad functional utility in materials science. This review article provides a comprehensive overview of synthesis, characterization, coordination chemistry, and corrosion inhibition potential of 1,2,3-triazole derivatives. Various approaches to metal-catalyzed azide-alkyne cycloaddition, as well as metal-free and organocatalyst-based click chemistry for synthesizing 1,2,3-triazole-based systems, have been discussed in detail. A systematic literature survey has been conducted on these heterocyclic compounds, which exhibit strong inhibitory performance against various metals and alloys, including mild steel, copper, and aluminum, in acidic, neutral, and saline environments. The article also describes the ligand properties of triazole derivatives, such as non-innocent behavior, donation, retro-donation, effect of resonance, and coordination modes, that facilitate their interaction with metallic <em>d</em>-orbitals. In general, this work combines the practical advancements and chemical foundations of 1,2,3-triazoles in corrosion science, providing recommendations for the development of next-generation inhibitors that are both environmentally friendly and highly efficient.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1043 ","pages":"Article 123900"},"PeriodicalIF":2.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145339822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Copper nanoparticles supported over the chitosan modified zinc oxide nanocomposite: Investigation of its catalytic efficiency for C-S coupling reactions 壳聚糖修饰氧化锌纳米复合材料负载铜纳米粒子:C-S偶联反应催化效率的研究
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-11-05 DOI: 10.1016/j.jorganchem.2025.123934
Narinderjit Singh Sawaran Singh , Waqid Al-Mussawi , P.R. Jangir , Muktha Eti , Tanmoy Prida , S. Radhika , Gaganjot Kaur , Erkaboy Davletov , Usmonjon Akhmedov , Alisher Abduvokhidov , Mustafa Diab , H. Amin El Sabban
{"title":"Copper nanoparticles supported over the chitosan modified zinc oxide nanocomposite: Investigation of its catalytic efficiency for C-S coupling reactions","authors":"Narinderjit Singh Sawaran Singh ,&nbsp;Waqid Al-Mussawi ,&nbsp;P.R. Jangir ,&nbsp;Muktha Eti ,&nbsp;Tanmoy Prida ,&nbsp;S. Radhika ,&nbsp;Gaganjot Kaur ,&nbsp;Erkaboy Davletov ,&nbsp;Usmonjon Akhmedov ,&nbsp;Alisher Abduvokhidov ,&nbsp;Mustafa Diab ,&nbsp;H. Amin El Sabban","doi":"10.1016/j.jorganchem.2025.123934","DOIUrl":"10.1016/j.jorganchem.2025.123934","url":null,"abstract":"<div><div>In this incusive innoviation work, a nanomaterial of copper nanoparticles immobilized over cross-linked chitosan-modified zinc oxide particles (ZnO@CS-GA/Cu NPs) was created by a green and cost-effective procedure assisted by <em>green tea</em> extract. To confirm that it was made correctly, various tests were conducted including FE-SEM, EDX, XRD, TEM, elemental mapping, and ICP-OES studies. After identifying the characteristics of ZnO@CS-GA/Cu NPs, its catalytic performance was evaluated for making aromatic sulfides through C-S coupling condensation. Importantly, the desired catalyst showed good recyclability, retaining its performance for 7 runs without suffering a significant decrease in activity.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1043 ","pages":"Article 123934"},"PeriodicalIF":2.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145526681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bio-fabricated of chitosan capped silver nanoparticles: Its catalytic performance for synthesis of 5-aryl-1H-tetrazoles from aldehydes 壳聚糖包覆纳米银的生物制备及其对醛合成5-芳基- 1h -四唑的催化性能
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-11-04 DOI: 10.1016/j.jorganchem.2025.123931
Ali M Hussein , Narinderjit Singh Sawaran Singh , Luma Hussain Saleh , Malatesh Akkur , Satish Kumar Samal , Sridharan Sundharam , Sanjeev Kumar , Khalmurat Iliev , Zukhra Atamuratova , Davronbek Yulchiev , Aseel Smerat , H. Amin El Sabban
{"title":"Bio-fabricated of chitosan capped silver nanoparticles: Its catalytic performance for synthesis of 5-aryl-1H-tetrazoles from aldehydes","authors":"Ali M Hussein ,&nbsp;Narinderjit Singh Sawaran Singh ,&nbsp;Luma Hussain Saleh ,&nbsp;Malatesh Akkur ,&nbsp;Satish Kumar Samal ,&nbsp;Sridharan Sundharam ,&nbsp;Sanjeev Kumar ,&nbsp;Khalmurat Iliev ,&nbsp;Zukhra Atamuratova ,&nbsp;Davronbek Yulchiev ,&nbsp;Aseel Smerat ,&nbsp;H. Amin El Sabban","doi":"10.1016/j.jorganchem.2025.123931","DOIUrl":"10.1016/j.jorganchem.2025.123931","url":null,"abstract":"<div><div>In this inclusive innovation study, we introduced biosynthesis of chitosan-silver nanoparticles (CS-Ag NPs/<em>C. sativus</em>) by using the extract of <em>Crocus sativus</em>, working as a reducing and capping agent. The physical and chemical characteristics of the produced CS-Ag NPs/<em>C. sativus</em> nanocomposite were analyzed using different techniques, such as FE-SEM, Uv-Vis, EDX, TEM, elemental mapping, XRD and ICP-OES. We calculated the size morphology of Ag NPs with diameters in a scope from 20–30 nm by TEM results. A novel and effective direct strategy for producing 5-Phenyl-1<em>H</em>-tetrazoles with good yields has been formulated by apply the fabricated CS-Ag NPs/<em>C. sativus</em> catalyst. The synthesis process incorporated a three-component and one-pot [3 + 2] cycloaddition condensation that included sodium azide, hydroxylamine, and aldehyde, all catalyzed by CS-Ag NPs/<em>C. sativus</em>. The proposed mechanism likely consists of the in <em>situ</em> generation of nitrile as intermediate, which then undergo a [3 + 2] cycloaddition with NaN<sub>3</sub>. The catalyst demonstrated the capability of being recovered and reused for a minimum of 9 cycles without a significant drop in catalytic efficiency. This approach consists additional benefits for the production of 5-Phenyl-1<em>H</em>-tetrazoles, such as easy access to starting substrates, simple reaction system, straightforward execution, and perfect yields.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1043 ","pages":"Article 123931"},"PeriodicalIF":2.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145526679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fabrication and characterization of gold nanoparticles immobilized into chitosan-glutaraldehyde polymers: Evaluating of its catalytic activity for oxidative esterification of arylaldehydes 壳聚糖-戊二醛聚合物固载金纳米颗粒的制备与表征:对芳醛氧化酯化反应的催化活性评价
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-11-08 DOI: 10.1016/j.jorganchem.2025.123937
Ali B.M. Ali , Ammar Yasir Ahmed , P.R. Jangir , Asha Rajiv , Badri Narayan Sahu , Sridharan Sundharam , Sanjeev Kumar , Mustafa Diab , H. El Sabban , Mutabar Latipova , Sardor Sabirov , Abdulrahman A. Almehizia
{"title":"Fabrication and characterization of gold nanoparticles immobilized into chitosan-glutaraldehyde polymers: Evaluating of its catalytic activity for oxidative esterification of arylaldehydes","authors":"Ali B.M. Ali ,&nbsp;Ammar Yasir Ahmed ,&nbsp;P.R. Jangir ,&nbsp;Asha Rajiv ,&nbsp;Badri Narayan Sahu ,&nbsp;Sridharan Sundharam ,&nbsp;Sanjeev Kumar ,&nbsp;Mustafa Diab ,&nbsp;H. El Sabban ,&nbsp;Mutabar Latipova ,&nbsp;Sardor Sabirov ,&nbsp;Abdulrahman A. Almehizia","doi":"10.1016/j.jorganchem.2025.123937","DOIUrl":"10.1016/j.jorganchem.2025.123937","url":null,"abstract":"<div><div>A sustainable and effective procedure developed for formation of gold nanoparticles (Au NPs) embedded into chitosan–glutaraldehyde (CHI–GA) hydrogel composite. This polymeric hydrogel (CHI-GA) was applied as a trapping and reducing template for <em>in situ</em> generation of Au NPs. The prepared CHI-GA/Au NPs were characterized by UV–Vis, FE-SEM, EDX, elemental mapping, TEM, ICP, and XRD. The average dimension of the Au NPs was around 40–50 nm, appeared as spherical shapes. The catalytic efficiency of the CHI-GA/Au NPs was assessed for selective oxidative esterification of various aldehydes. A wide variety of aldehydes was transformed to related methyl esters in good yields. The CHI-GA/Au NPs catalyst was recycled via centrifugation and demonstrated sufficient stability for reuse across 6 successive runs without notable decrease in activity.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1043 ","pages":"Article 123937"},"PeriodicalIF":2.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145526680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sonogashira reaction using DMF-stabilized Pd nanoclusters as catalysts and its application to synthesis for polycyclic aromatic hydrocarbon-fused benzofurans dmf稳定钯纳米团簇催化Sonogashira反应及其在多环芳烃-苯并呋喃合成中的应用
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-10-22 DOI: 10.1016/j.jorganchem.2025.123909
Rui Umeda, Ryoya Miyamoto, Ryohei Takeshita, Shota Nakahama, Minori Shibano
{"title":"Sonogashira reaction using DMF-stabilized Pd nanoclusters as catalysts and its application to synthesis for polycyclic aromatic hydrocarbon-fused benzofurans","authors":"Rui Umeda,&nbsp;Ryoya Miyamoto,&nbsp;Ryohei Takeshita,&nbsp;Shota Nakahama,&nbsp;Minori Shibano","doi":"10.1016/j.jorganchem.2025.123909","DOIUrl":"10.1016/j.jorganchem.2025.123909","url":null,"abstract":"<div><div>Efficient reaction conditions for the Sonogashira coupling between <em>o</em>-iodoanisole and terminal acetylenes were developed using 0.1 mol% DMF-stabilized palladium nanoclusters as the catalysts. The resulting diarylacetylenes bearing an <em>ortho</em>-methoxy group were subsequently converted into benzofuran derivatives <em>via</em> iodine-mediated iodocyclization. Further transformation through palladium-catalyzed intramolecular cyclization afforded PAH-fused benzofuran derivatives.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1043 ","pages":"Article 123909"},"PeriodicalIF":2.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145414784","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring ferrocenyl-quinoline hybrids as in vitro agents against Leishmania major promastigotes 二茂铁-喹啉杂交体体外抗利什曼原虫研究
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-11-05 DOI: 10.1016/j.jorganchem.2025.123935
Takudzwa E. Murwira , Gregory S. Smith , Ramona Hurdayal
{"title":"Exploring ferrocenyl-quinoline hybrids as in vitro agents against Leishmania major promastigotes","authors":"Takudzwa E. Murwira ,&nbsp;Gregory S. Smith ,&nbsp;Ramona Hurdayal","doi":"10.1016/j.jorganchem.2025.123935","DOIUrl":"10.1016/j.jorganchem.2025.123935","url":null,"abstract":"<div><div>Currently available drugs for cutaneous leishmaniasis are sub-optimal due to parasite-specific drug resistance, drug-induced host toxicity and lengthy treatment. Repurposing existing drugs/compounds with established biological activity provides an attractive measure for antileishmanial drug development. Quinoline is a ubiquitous scaffold for targeting parasitic infections, particularly malaria, showing enhanced activity when combined with metal complexes, such as the iron-containing compound ferrocene. Concomitantly, this study evaluates the potential of ferrocenyl-quinoline compounds as potential drug candidates for treating cutaneous leishmaniasis caused by <em>Leishmania major</em>, focusing on <em>in vitro</em> antipromastigote activity and cytotoxicity, using murine and cell-based models of the disease. Four ferrocenyl-quinoline compounds containing various linkers (imino-alkyl, amino-alkyl, triazole-amine and phenyl-alkene) were synthesized, with the triazole-amine and phenyl-alkene compounds being new. The four compounds and their respective precursors were assessed for their antileishmanial activity against the promastigote form of <em>L. major</em> LV39, as well as their cytotoxicity in the RAW 264.7 murine macrophage cell line. The amino-alkyl and triazole amine-linked compounds were the most active against <em>L. major</em> LV39 promastigotes (IC<sub>50</sub> = 1.16 and 8.83 μM, respectively), with the former being more active than the clinical drug, amphotericin B (IC<sub>50</sub> = 2.10 μM). All four ferrocenyl-quinoline compounds were more cytotoxic than amphotericin B (CC<sub>50</sub> &lt; 54 μM). However, both the amino-alkyl and triazole amine-linked compounds showed higher CC<sub>50</sub> values than their respective IC<sub>50</sub> values, suggesting a higher selectivity toward <em>L. major</em> promastigotes than their other counterparts (SI &gt; 1). The triazole amine-linked compound, in particular, had an SI of 2.11, making it a more promising antileishmanial agent worthy of further investigation. This preliminary study not only delineates structure-based trends on antipromastigote activity but also demonstrates the significance of incorporating metals in drug design to enhance potency. Additional future studies are necessary to examine the potency of these compounds against <em>L. major</em> amastigotes, as well as their efficacy <em>in vivo</em> and mechanism of action.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1043 ","pages":"Article 123935"},"PeriodicalIF":2.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145526168","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical investigation of the reaction mechanism for formation of pyridinyl formimidamide ancillary ligand in the synthesis of a new Class of iridium(III) complexes 一类新型铱(III)配合物合成中吡啶基甲咪酰胺辅助配体形成反应机理的理论研究
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-10-20 DOI: 10.1016/j.jorganchem.2025.123903
Nurul Husna As Saedah Bain , Noorshida Mohd Ali , David Robinson , Abu-Baker M. Abdel-Aal
{"title":"Theoretical investigation of the reaction mechanism for formation of pyridinyl formimidamide ancillary ligand in the synthesis of a new Class of iridium(III) complexes","authors":"Nurul Husna As Saedah Bain ,&nbsp;Noorshida Mohd Ali ,&nbsp;David Robinson ,&nbsp;Abu-Baker M. Abdel-Aal","doi":"10.1016/j.jorganchem.2025.123903","DOIUrl":"10.1016/j.jorganchem.2025.123903","url":null,"abstract":"<div><div>In this study, density functional theory (DFT) calculations were performed to explore the reaction mechanism for the formation of a silver-formimidamide intermediate complex in the synthesis pathway of a novel cyclometallated iridium(III) complex bearing a pyridine-formimidamide ancillary ligand. The purpose of this study is to provide a detailed explanation of how the cyclic carbene ancillary ligand of (2-(4-methylbenzyl)-<em>1H</em>-1,2,4-triazol-1-yl)pyridine, MBpyta converted into acyclic (E)-N-cyano-N-(4-methylbenzyl)-N'-(pyridin-2-yl) formimidamide, CNMBpyfa when undergoing complexation with chloro-bridged iridium(III) dimer [{Ir(F<sub>2</sub>ppy)<sub>2</sub>(µ-Cl)}<sub>2</sub>]. The calculated results showed that the role of silver(I) oxide and the electron-withdrawing effect of the starting ligand in reactants triggered the two stages of deprotonation of two carbons in the starting triazolium salt precursor. Geometrical optimization reveals that the crystal structure of complex Ir(F<sub>2</sub>ppy)<sub>2</sub>(CNMBpyfa) has the lowest electronic energy compared to other designated ancillary ligand positions, confirming that the experimental data represent the most stable state of the synthesized complex.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1043 ","pages":"Article 123903"},"PeriodicalIF":2.1,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145361318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A mononuclear copper(II) complex supported by ferrocene-containing chalcone Schiff-base ligands: synthetic reaction and structural characterization 含二茂铁查尔酮席夫碱配体负载的单核铜(II)配合物:合成、反应和结构表征
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2026-01-01 Epub Date: 2025-10-21 DOI: 10.1016/j.jorganchem.2025.123907
Yi-Jie Li, Zhi-Cui Zhang, Tian-Tian Sun, Ai-Quan Jia, Qian-Feng Zhang
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