Journal of Organometallic Chemistry最新文献

筛选
英文 中文
Advanced-designed Ru(II) complexes containing phosphinite ligands derived from chiral amino alcohols: Electrochemical behavior, DFT calculations, and biological activity 含有源自手性氨基醇的膦配体的高级设计 Ru(II) 复合物:电化学行为、DFT 计算和生物活性
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-21 DOI: 10.1016/j.jorganchem.2024.123410
Nermin Meriç , Uğur Işık , Anuar Dauletbakov , Darya Zolotareva , Alexey Zazybin , Mehmet Şerif Sever , Veysi Okumuş , Nil Ertekin Binbay , Veysel Binbay , Cezmi Kayan , Remziye Güzel , Murat Aydemir
{"title":"Advanced-designed Ru(II) complexes containing phosphinite ligands derived from chiral amino alcohols: Electrochemical behavior, DFT calculations, and biological activity","authors":"Nermin Meriç ,&nbsp;Uğur Işık ,&nbsp;Anuar Dauletbakov ,&nbsp;Darya Zolotareva ,&nbsp;Alexey Zazybin ,&nbsp;Mehmet Şerif Sever ,&nbsp;Veysi Okumuş ,&nbsp;Nil Ertekin Binbay ,&nbsp;Veysel Binbay ,&nbsp;Cezmi Kayan ,&nbsp;Remziye Güzel ,&nbsp;Murat Aydemir","doi":"10.1016/j.jorganchem.2024.123410","DOIUrl":"10.1016/j.jorganchem.2024.123410","url":null,"abstract":"<div><div>We report two phosphinite ligands derived from chiral amino alcohols, and their complexes with ruthenium(II). These compounds were characterized by spectroscopic methods. Then, antimicrobial, antioxidant, and DNA binding activities of the chiral Ru(II)-phosphinite complexes were tested. Complex (1<em>R</em>)-2-{benzyl[(1<em>S</em>)-1-(naphthalen-1-yl)ethyl]amino}-1-phenylethyl diphenylphos- phinito[dichloro(η<sup>6</sup>-<em>p</em>-cymene)ruthenium(II)], 7 showed both the highest radical scavenging activity (90.93 ± 0.98 %) and the highest metal chelating activity (65.45 ± 1.46 %) at 200.0 mg l<sup>-1</sup> concentration. In addition, all of complexes had different rates of binding activity to calf thymus DNA (CT-DNA). Moreover, extensive theoretical and experimental investigations were conducted to gain a more profound understanding of the chemical descriptors and the diverse electronic transitions taking place within the ruthenium complexes, as well as their electrochemical characteristics.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1023 ","pages":"Article 123410"},"PeriodicalIF":2.1,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142525789","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
Ruthenium methoxy and ruthenium vinylidene complexes featuring dithiocarbamate ligands 具有二硫代氨基甲酸酯配体的甲氧基钌和亚乙烯基钌络合物
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-20 DOI: 10.1016/j.jorganchem.2024.123416
Tian-Tian Sun, Yang Gao, Song Pan, Zhong Li, Ai-Quan Jia, Qian-Feng Zhang
{"title":"Ruthenium methoxy and ruthenium vinylidene complexes featuring dithiocarbamate ligands","authors":"Tian-Tian Sun,&nbsp;Yang Gao,&nbsp;Song Pan,&nbsp;Zhong Li,&nbsp;Ai-Quan Jia,&nbsp;Qian-Feng Zhang","doi":"10.1016/j.jorganchem.2024.123416","DOIUrl":"10.1016/j.jorganchem.2024.123416","url":null,"abstract":"<div><div>Treatment of [(Me<sub>3</sub>tacn)Ru<sup>III</sup>(κ<sup>2</sup>-S<sub>2</sub>CNR<sub>2</sub>)Cl]PF<sub>6</sub> (Me<sub>3</sub>tacn = 1,4,7-trimethyl-1,4,7-triazacyclononane) with methanol in the presence of zinc powder in air afforded four ruthenium methoxy complexes [(Me<sub>3</sub>tacn)Ru<sup>III</sup>(<em>κ</em><sup>2</sup>-S<sub>2</sub>CNR<sub>2</sub>)(OCH<sub>3</sub>)]PF<sub>6</sub> (<em>R</em> = Me <strong>1</strong>, Et <strong>2</strong>, <sup>n</sup>Pr <strong>3</strong>, <sup>i</sup>Pr <strong>4</strong>). Further reactions of complexes <strong>1–4</strong> and phenylacetylene gave four ruthenium vinylidene complexes [(Me<sub>3</sub>tacn)(κ<sup>2</sup>-S<sub>2</sub>CNR<sub>2</sub>)Ru=C=CHPh]PF<sub>6</sub> (<em>R</em> = Me <strong>5</strong>, Et <strong>6</strong>, <sup>n</sup>Pr <strong>7</strong>, <sup>i</sup>Pr <strong>8</strong>). Molecular structures of complexes <strong>1, 2, 3, 6, 7</strong> and <strong>8</strong> were established by single crystal X-ray diffraction analysis. Moreover, all complexes were characterized by infrared, UV–vis, fluorescence and mass spectrometry, and their electrochemical properties were also investigated. The visible-light-induced catalytic properties of complexes <strong>5–8</strong> for H<sub>2</sub> evolution by water splitting were explored.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123416"},"PeriodicalIF":2.1,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538525","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
Electrocatalytic CO2 reduction to HCO2H by protic NHC-Ir complexes 原生 NHC-Ir 复合物电催化 CO2 还原成 HCO2H
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-19 DOI: 10.1016/j.jorganchem.2024.123422
Saswati Ray , Sanajit Kumar Mandal , Joyanta Choudhury
{"title":"Electrocatalytic CO2 reduction to HCO2H by protic NHC-Ir complexes","authors":"Saswati Ray ,&nbsp;Sanajit Kumar Mandal ,&nbsp;Joyanta Choudhury","doi":"10.1016/j.jorganchem.2024.123422","DOIUrl":"10.1016/j.jorganchem.2024.123422","url":null,"abstract":"<div><div>In electrochemical CO<sub>2</sub>-conversion strategies, various transition metal-based molecular electrocatalysts are employed to reduce CO<sub>2</sub> into products like CO and HCO<sub>2</sub>H, with H<sub>2</sub> as a competitive side product. However, achieving selectivity towards HCO<sub>2</sub>H remains challenging, and suitable catalysts for the same are limited. Herein we report a normal and an abnormal protic-NHC-based Cp*Ir(III)-half sandwich complexes for catalytic CO<sub>2</sub> electroreduction in an aqueous acetonitrile solvent. Both the catalysts predominantly produced HCO<sub>2</sub>H as the CO<sub>2</sub>-reduced product at an applied potential of –2.66 V vs Fc<sup>+</sup>/Fc with 5 % H<sub>2</sub>O as the proton source; however, the normal protic-NHC-bound complex achieved a Faradic efficiency (FE) of 86±4 %, while the complex with the abnormal protic-NHC ligand furnished FE up to 72±4 %. The protic proton of the protic NHC ligand in these complexes was proposed to participate in a proton relay process, facilitating generation of the crucial Ir–H intermediate, which reacts with CO<sub>2</sub> to produce HCO<sub>2</sub>H through stabilization of the Ir–OCHO intermediate.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123422"},"PeriodicalIF":2.1,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538522","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
Air-stable palladium NHeterocyclic carbene based CCCNHC pincer complexes: Synthesis, characterization, photophysical and Raman vibrational studies, and DFT studies, plus observation of an abnormal carbene pincer 空气稳定的钯杂环碳烯基 CCCNHC 钳子配合物:合成、表征、光物理和拉曼振动研究、DFT 研究,以及对异常碳烯钳的观察
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-18 DOI: 10.1016/j.jorganchem.2024.123419
Jason A. Denny , Georgette M. Lang , Shane Autry , Vivek Dixit , Tyler L. Woodby , Annie McClellan , Jaclyn M. Trate , Nathan I. Hammer , Charles Edwin Webster , T. Keith Hollis
{"title":"Air-stable palladium NHeterocyclic carbene based CCCNHC pincer complexes: Synthesis, characterization, photophysical and Raman vibrational studies, and DFT studies, plus observation of an abnormal carbene pincer","authors":"Jason A. Denny ,&nbsp;Georgette M. Lang ,&nbsp;Shane Autry ,&nbsp;Vivek Dixit ,&nbsp;Tyler L. Woodby ,&nbsp;Annie McClellan ,&nbsp;Jaclyn M. Trate ,&nbsp;Nathan I. Hammer ,&nbsp;Charles Edwin Webster ,&nbsp;T. Keith Hollis","doi":"10.1016/j.jorganchem.2024.123419","DOIUrl":"10.1016/j.jorganchem.2024.123419","url":null,"abstract":"<div><div>A series of CCC<img>NHC pincer Pd(II)X complexes, where X = Cl, Br, or I, were synthesized by a metalation/transmetalation reaction sequence and characterized by NMR and Raman spectroscopy, photophysical studies, X-ray crystallography, and DFT computational studies. This is the first detailed report of the CCC<img>NHC pincer Pd complexes analogous to the previously reported Pt analogs. Photophysical measurements show that by varying the X ligand, the emission wavelength can be tuned. The chloride complex is a water and air stable blue emitter with a quantum yield of 46 % and all three complexes have photostabilities &gt;90 %. A combined DFT and TD-DFT study has been carried out to investigate ground state and excited state geometries as well as absorption and emission processes of CCC<img>NHC Pd complexes. Theoretical results were compared with the corresponding experimental results and showed good agreement. Raman spectroscopy (computational and experimental) was used to examine Pd-X vibrations which have been rarely reported in the literature. Several by-products of the metalation/transmetalation procedure were identified. A rare mixed normal/abnormal carbene pincer Pd(II)Cl complex was isolated and crystallographically characterized.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1023 ","pages":"Article 123419"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652649","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
Novel phthalocyanines bearing fluoro-methylquinolin substituents: Synthesis, characterization, photophysical and photochemical properties 带有氟甲基喹啉取代基的新型酞菁:合成、表征、光物理和光化学特性
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-18 DOI: 10.1016/j.jorganchem.2024.123421
Ümit Demirbaş , Zehra Özçifçi , Hakkı Türker Akçay
{"title":"Novel phthalocyanines bearing fluoro-methylquinolin substituents: Synthesis, characterization, photophysical and photochemical properties","authors":"Ümit Demirbaş ,&nbsp;Zehra Özçifçi ,&nbsp;Hakkı Türker Akçay","doi":"10.1016/j.jorganchem.2024.123421","DOIUrl":"10.1016/j.jorganchem.2024.123421","url":null,"abstract":"<div><div>The novel 4-((6-fluoro-2-methylquinolin-4-yl)oxy)phthalonitrile (<strong>3a</strong>), 3-((6-fluoro-2-methylquinolin-4-yl)oxy)phthalonitrile <strong>(3b),</strong> tetra 6-fluoro-2-methylquinolin-4-yl)oxy substituted zinc(II) phthalocyanines <strong>(4a</strong> and <strong>4b)</strong> and their water soluble derivatives <strong>(5a</strong> and <strong>5b)</strong> were prepared. The proposed structures of novel compounds were comfirmed via FT-IR, <sup>1</sup>HNMR , UV–Vis and MALDI-TOF mass data. The aggregation tendency, fluorescence quantum yield, singlet oxygen quantum yield and photodegradation measurements were performed to examine the photodynamic therapy potential of both peripherally tetra substituted zinc(II) phthalocyanines <strong>(4a</strong> and <strong>4b)</strong> and the water soluble quaternized tetra substituted zinc(II) phthalocyanines <strong>(5a</strong> and <strong>5b)</strong>. The result showed that both the novel tetra 6-fluoro-2-methylquinolin-4-yl)oxy substituted zinc(II) phthalocyanines <strong>(4a</strong> and <strong>4b)</strong> and their water soluble derivatives <strong>(5a</strong> and <strong>5b)</strong> could be used as photosensitizer agents in PDT thanks to their lack of aggregation tendency, having sufficient fluorescence emission for monitoring and produce high amount of singlet oxygen to destroy cancerous tissues and having moderate photostability.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123421"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538526","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
Elemental tellurium in organoelement synthesis of tellurium-containing organometallics and telluracycles 含碲有机金属和碲化物的有机元素合成中的碲元素
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-18 DOI: 10.1016/j.jorganchem.2024.123418
Alexander V. Martynov
{"title":"Elemental tellurium in organoelement synthesis of tellurium-containing organometallics and telluracycles","authors":"Alexander V. Martynov","doi":"10.1016/j.jorganchem.2024.123418","DOIUrl":"10.1016/j.jorganchem.2024.123418","url":null,"abstract":"<div><div>An overview presents the known methods of using elemental tellurium in the synthesis of various acyclic and cyclic, saturated and unsaturated compounds containing Te–E bonds (<em>E</em> = main group atom or transition metal atom). These methods include the insertion of tellurium into the C–E (<em>E</em> = halogen, Al, Ga, Sn, Zr) and P–E (<em>E</em> = Li, P, Si, Ge and Sn) and Sn–Sn single bonds and the addition to the <em>E</em> = <em>E</em> (<em>E</em> = Si, Ge and Sn) double bond, and P<img>C triple bond, as well as the breakdown of the C<img>C double bond and the exchange of metal (Hg, Ag) and non-metal (B, I) for Te. Reactions with carbenes, their heavier (Si, Ge, Sn) analogs and free radicals are also discussed, as are the oxidation of organophosphorous (III) compounds, silanes and germanes with Te and the direct cyclisation of alkanes, arenes and heteroarenes containing two halogenomethyl fragments with elemental Te. Three-component heterocyclizations involving elemental tellurium and leading to telluracycles are also discussed. The reactions mentioned above are compared to those involving lighter chalcogens.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123418"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538528","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
Recent perspective on polymeric Semimetal (Si, Ge and As) and nonmetal (N and P) doped C70-Fullerene system: Comparative electronic, dynamic behavior and chemotherapy docking with ADMET analysis 聚合物半金属(Si、Ge 和 As)和非金属(N 和 P)掺杂 C70-Fullerene 系统的最新进展:电子、动态行为和化疗对接与 ADMET 分析的比较
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-18 DOI: 10.1016/j.jorganchem.2024.123417
Alyaa A. Alkhafaji , Hind M. Ahmed , Batool K. Queen , Ali Abdullah Issa , Ghassan M. Sulaiman , Amany Assem ELkashef , Doaa S. El-Sayed
{"title":"Recent perspective on polymeric Semimetal (Si, Ge and As) and nonmetal (N and P) doped C70-Fullerene system: Comparative electronic, dynamic behavior and chemotherapy docking with ADMET analysis","authors":"Alyaa A. Alkhafaji ,&nbsp;Hind M. Ahmed ,&nbsp;Batool K. Queen ,&nbsp;Ali Abdullah Issa ,&nbsp;Ghassan M. Sulaiman ,&nbsp;Amany Assem ELkashef ,&nbsp;Doaa S. El-Sayed","doi":"10.1016/j.jorganchem.2024.123417","DOIUrl":"10.1016/j.jorganchem.2024.123417","url":null,"abstract":"<div><div>Fullerene system, based on carbon atoms, was studied and its structural modification was built with consideration of several elements such as Si, N, P, Ge, and As, where doped modified systems were constructed. Synthetic routes survey was considered to acquire the structures' availability in further applications related to structure properties investigation. The computational investigation of these designed systems was described using the most popular approach of density functional theory (DFT). Electronic behavior for all systems was studied especially through density of states (DOS) spectra, molecular electrostatic potential (MEP), and frontier molecular orbitals (FMOs) for best comparison towards stability with less energetic properties, where C-fullerene was predicted as a more stable candidate as its ∆E with value of 1.714 eV. Molecular dynamic simulation (MD) was considered to predict the stability of the atoms in the system during the physical movement at 100 ps. A polymeric model of triple Fullerene rings was linked for each Semimetal atom (Si, Ge, and As) to predict the radial distribution function (RDF) and dynamic behavior for stability conditions. The calculated energy parameters such as potential, kinetic, and non-bond energies mainly described the system movement stability during the simulation time. Molecular docking analysis of the modified doped systems was performed for chemotherapy prediction of the studied systems against breast cancer target protein (5NWH) to evaluate the inhibition strength through active sites binding affinity. The estimated binding affinity of Si-fullerene was found the most favorable result (-12.73 kcal/mol). ADMET properties were estimated for further drug-like prediction through comparative pharmacokinetic factors.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123417"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538521","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
GQDs@SiO3Pr Schiff-base complexes Co (II); As an eco-friendly environmental nanocatalyst for the synthesis of the amino carbonitrile chromenes GQDs@SiO3Pr 席夫碱络合物 Co (II);作为一种用于合成氨基甲腈色烯烃的生态友好型环保纳米催化剂
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-18 DOI: 10.1016/j.jorganchem.2024.123413
Marziyeh Behrouzi, Khadijeh Rabiei, Soheil Ghasemzadeh
{"title":"GQDs@SiO3Pr Schiff-base complexes Co (II); As an eco-friendly environmental nanocatalyst for the synthesis of the amino carbonitrile chromenes","authors":"Marziyeh Behrouzi,&nbsp;Khadijeh Rabiei,&nbsp;Soheil Ghasemzadeh","doi":"10.1016/j.jorganchem.2024.123413","DOIUrl":"10.1016/j.jorganchem.2024.123413","url":null,"abstract":"<div><div>An effective nanocomposite comprising functionalized graphene quantum dots has been developed for the rapid, one-step production of amino carbonitrile chromenes. To this end, the surface of graphene quantum dots (GQDs) was functionalized with a novel synthetic Schiff-base complex of cobalt (II) prepared by post-synthetic surface modification of the graphene quantum dot surface with a silane coupling agent (3-chloropropyl trimethoxysilane, SiO<sub>3</sub>PrCl) in order to synthesize GQDs@SiO<sub>3</sub>PrCl. Then, the Schiff base ligand synthesized from the condensation reaction of 4-aminoantipyrine with <em>ortho</em>-phenylenediamine was immobilized on the surface of the silane-linker grafted GQDs to synthesize the GQDs@SiO<sub>3</sub>Pr-Schiff base. Finally, the cobalt particles were stabilized on the surface of the graphene quanta functionalized with Schiff bases (GQDs@SiO<sub>3</sub>Pr-Schiff Base/Co (II)). The GQDs@SiO<sub>3</sub>Pr-Schiff Base/Co (II) nanocatalyst demonstrated exceptional performance in the synthesis of amino carbonitrile chromenes derivatives, facilitating high product yields using various aromatic aldehydes, 4‑hydroxy coumarin and malononitrile under mild conditions. Additionally, the catalyst exhibited reusability up to seven times without significant loss of productivity, showcasing its environmental friendliness and sustainability in organic synthesis. This versatile nanocatalyst holds promising for efficient and economically viable catalysis in diverse chemical applications.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123413"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538527","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
Designing ferrocenyl thiophene chalcones as light harvester candidates for dye-sensitized solar cells 设计二茂铁基噻吩查耳酮作为染料敏化太阳能电池的候选光收集器
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-16 DOI: 10.1016/j.jorganchem.2024.123415
Mohd Mustaqim Rosli, Ainizatul Husna Anizaim, Siti Nabilla Aliya Mohd Nizar, Ibrahim Abdul Razak, Suhana Arshad
{"title":"Designing ferrocenyl thiophene chalcones as light harvester candidates for dye-sensitized solar cells","authors":"Mohd Mustaqim Rosli,&nbsp;Ainizatul Husna Anizaim,&nbsp;Siti Nabilla Aliya Mohd Nizar,&nbsp;Ibrahim Abdul Razak,&nbsp;Suhana Arshad","doi":"10.1016/j.jorganchem.2024.123415","DOIUrl":"10.1016/j.jorganchem.2024.123415","url":null,"abstract":"<div><div>In dye-sensitized solar cells (DSSCs), the dye (or photosensitizer) plays a crucial role. It absorbs light and generates electrons, which affects the efficiency of converting sunlight into electricity. While Ru(II)-based dyes are common in DSSCs, their scarcity, susceptibility to degradation, and limited absorption range pose challenges for wider adoption. Three new ferrocenyl-thiophene compounds have been synthesized, all sharing the same core structure, but the distinctive difference is the existence of methyl group (CH<sub>3</sub>) and bromine (Br) substituents attached to the thiophene ring. Using the structures obtained from spectroscopic and X-ray crystallography analyzes, the chemical reactivity of these compounds is theoretically evaluated. Cyclic voltammetry (CV) analysis and electrochemical impedance spectroscopy (EIS) were employed to investigate the redox properties and electron transport mechanisms of the material. The bromination process demonstrates its efficacy for dye applications, while the methyl attachment to the thiophene ring enhances anchoring toward TiO₂, contributing to improved performance in DSSCs. Overall, the compound featuring bromine exhibited a lower band gap compared to the others, resulting in higher efficiency in solar simulation analysis, nearly double that of the methyl-containing compound, and significantly surpassing the plain thiophene compound. EIS analysis revealed that, among the three ferrocenyl chalcone dyes, the bromine-containing compound exhibited the highest charge recombination resistance and longest electron lifetime.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123415"},"PeriodicalIF":2.1,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538520","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
Synthesis, comprehensive characterization and investigation of biological properties of newly synthesized Pt(II)-aminothiazole complexes: Combining experimental and computational approach 新合成的铂(II)-氨基噻唑配合物的合成、综合表征和生物特性研究:实验与计算相结合的方法
IF 2.1 3区 化学
Journal of Organometallic Chemistry Pub Date : 2024-10-12 DOI: 10.1016/j.jorganchem.2024.123411
Danijela Lj. Stojković , Edina H. Avdović , Maja B. Đukić , Verica V. Jevtić , Đorđe S. Petrović , Ratomir M. Jelić , Milena Jurišević , Nevena Gajović , Vladimir Marković , Aleksandar Arsenijević , Ivan Jovanović , Ivana D. Radojević , Sandra S. Jovičić Milić
{"title":"Synthesis, comprehensive characterization and investigation of biological properties of newly synthesized Pt(II)-aminothiazole complexes: Combining experimental and computational approach","authors":"Danijela Lj. Stojković ,&nbsp;Edina H. Avdović ,&nbsp;Maja B. Đukić ,&nbsp;Verica V. Jevtić ,&nbsp;Đorđe S. Petrović ,&nbsp;Ratomir M. Jelić ,&nbsp;Milena Jurišević ,&nbsp;Nevena Gajović ,&nbsp;Vladimir Marković ,&nbsp;Aleksandar Arsenijević ,&nbsp;Ivan Jovanović ,&nbsp;Ivana D. Radojević ,&nbsp;Sandra S. Jovičić Milić","doi":"10.1016/j.jorganchem.2024.123411","DOIUrl":"10.1016/j.jorganchem.2024.123411","url":null,"abstract":"<div><div>The synthesis of new platinum(II) complexes with 2-amino-6-methyl-benzothiazole and 2-amino-6-chlorobenzothiazole as ligands were reported and the proposed structure of the complexes were determined using elemental microanalysis, infrared, <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy. To verify the suggested structures a computational approach utilizing Density Functional Theory was implemented. The results showed a strong correlation with experimental data, confirming the hypothesized structures of investigated compounds.</div><div>The interactions of novel platinum(II) complexes with human serum albumin and calf thymus DNA were studied by fluorescence spectroscopy and UV-Vis absorption. The predominantly elevated values of the binding constant, <em>K</em><sub>b</sub>, and the Stern-Volmer quenching constant, <em>K</em><sub>SV</sub>, stem from the effective attachment of complexes to both HSA and CT-DNA. To establish the mode of interaction, viscosity measurements were conducted. The results showed that complexes are not performing intercalation between the DNA bases, and which probably bind to minor/major grooves.</div><div>In vitro cytotoxic effect of ligands and platinum(II) complexes was evaluated in the panel of cancer cell lines (mouse mammary carcinoma and colon cancer, and on human mammary carcinoma and colon cancer), and on non-tumor cells, mouse mesenchymal stem cell line using MTT assay. Platinum(II) complex with 2-amino-6-methyl-benzothiazole showed a very good cytotoxic activity mainly by inducing apoptosis.</div><div>In vitro antimicrobial assay of ligands and complexes was tested against 11 microorganisms using microdilution method and the minimum inhibitory concentration and minimum microbicidal concentration were identified. All tested compounds exhibited moderate antifungal activity and significantly better action on <em>S. aureus</em> ATCC 25,923.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1023 ","pages":"Article 123411"},"PeriodicalIF":2.1,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142561178","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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信