Polyhedron最新文献_第10页

Two new Mn-LMOF based on an AIEgens ligand for selective detection of Al3+ and other ions in aqueous solution 基于 AIEgens 配体的两种新型 Mn-LMOF 用于选择性检测水溶液中的 Al3+ 和其他离子

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-26 DOI: 10.1016/j.poly.2024.117204

Yu-Yuan Zhao , Wei-Min Chen , Yi Zhang , Zhen-Dong Xue , Hao-Yu Zhu , Fang-Ming Wang

{"title":"Two new Mn-LMOF based on an AIEgens ligand for selective detection of Al3+ and other ions in aqueous solution","authors":"Yu-Yuan Zhao , Wei-Min Chen , Yi Zhang , Zhen-Dong Xue , Hao-Yu Zhu , Fang-Ming Wang","doi":"10.1016/j.poly.2024.117204","DOIUrl":"10.1016/j.poly.2024.117204","url":null,"abstract":"<div>Two novel multifunctional chemical sensor Mn-LMOF, namely, [Mn2(TPPE)(ndc)2(H2O)]n (LMOF-1) and [Mn2(TPPE)(oba)2]n (LMOF-2) were solvothermally synthesized by introducing an AIE luminogens (AIEgens) ligand, 1,1,2,2-tetra[4-(pyridin-4-yl)phenyl]ethylene(TPPE), and analyzed by single crystal X-ray diffraction, thermogravimetric and powder X-ray diffraction and other methods. LMOF-1 and LMOF-2 have high stability and strong luminescence properties in solutions. The sensing experiments testify that LMOF-1 can be used as a selectively sensor for Al3+, with the limit of detection is 1.83 × 10−5 M. And LMOF-1 and LMOF-2 can identify Fe3+, CrO42− and Cr2O72− ions in aqueous solution, and LMOF-1 has a higher Ksv for all three ions than LMOF-2.</div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"263 ","pages":"Article 117204"},"PeriodicalIF":2.4,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142077334","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 exploration of the photophysical properties of two series of iridium(III) complexes with different main ligand 具有不同主配体的两个系列铱（III）配合物的光物理特性的理论探索

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-25 DOI: 10.1016/j.poly.2024.117196

Jing Gao , Wancheng Chang , Guangying Chen , Dandan Lv , Jia Guo , Chaoqiong Jiang , Xiaohong Shang , Deming Han

{"title":"Theoretical exploration of the photophysical properties of two series of iridium(III) complexes with different main ligand","authors":"Jing Gao , Wancheng Chang , Guangying Chen , Dandan Lv , Jia Guo , Chaoqiong Jiang , Xiaohong Shang , Deming Han","doi":"10.1016/j.poly.2024.117196","DOIUrl":"10.1016/j.poly.2024.117196","url":null,"abstract":"<div>On the basis of the thiophene-containing and furan-containing complexes, we design four complexes by introducing thiazole, isothiazole, oxazole, isoxazole on main ligands. The electronic structure, absorption and emission spectra, charge injection/transport properties, absorption and phosphorescence properties have been investigated by density functional theory (DFT) and time-dependent density functional theory (TDDFT). Introducing S atom to substitute O atom could enhance HOMO energy level, blueshift emission wavelength, decrease <math><mrow><mi>Δ</mi><msub><mtext>E</mtext><mrow><msub><mtext>S</mtext><mtext>1</mtext></msub><msub><mrow><mspace></mspace><mtext>- T</mtext></mrow><mtext>1</mtext></msub></mrow></msub></mrow></math> value. The introduction of N atom on furan ring and thiophene ring could decrease HOMO and LUMO energy levels and energy gaps, blueshift emission wavelength, decrease <math><mrow><mi>Δ</mi><msub><mtext>E</mtext><mrow><msub><mtext>S</mtext><mtext>1</mtext></msub><msub><mrow><mspace></mspace><mtext>- T</mtext></mrow><mtext>1</mtext></msub></mrow></msub></mrow></math> value, enhance electron transport ability. Introducing thiazole could decrease hole injection ability and <math><mrow><mi>Δ</mi><msub><mtext>E</mtext><mrow><msub><mtext>S</mtext><mtext>1</mtext></msub><msub><mrow><mspace></mspace><mtext>- T</mtext></mrow><mtext>1</mtext></msub></mrow></msub></mrow></math>, and then may have higher ΦPL. Isoxazole and isothiazole groups could facilitate the electron transition from HOMO to LUMO and enhance hole injection ability. Thiazole and isothiazole groups could increase absorption peak strength and hole transport ability.</div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"263 ","pages":"Article 117196"},"PeriodicalIF":2.4,"publicationDate":"2024-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142097309","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 (II) halide compounds with cationic N-donor ligands: Design, synthesis, structure and magnetism 带有阳离子 N-供体配体的卤化铜 (II) 化合物：设计、合成、结构和磁性

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-23 DOI: 10.1016/j.poly.2024.117191

Jeffrey C. Monroe , Christopher P. Landee , Melanie Rademeyer , Mark M. Turnbull

{"title":"Copper (II) halide compounds with cationic N-donor ligands: Design, synthesis, structure and magnetism","authors":"Jeffrey C. Monroe , Christopher P. Landee , Melanie Rademeyer , Mark M. Turnbull","doi":"10.1016/j.poly.2024.117191","DOIUrl":"10.1016/j.poly.2024.117191","url":null,"abstract":"<div>Copper (II) complexes of the cationic ligands 1-(4′-pyridyl)-pyridinium (L1) and 1-(4′-pyridyl)-pyridin-4-ol (L2) have been prepared and characterized by single crystal X-ray diffraction and variable temperature magnetic susceptibility measurements: [Cu(L1)2X2]X2 [where X = Cl (1), Br (2)], and [Cu(L2)2X2]X2 [where X = Cl (3), Br (4)]. The complexes are fundamentally square planar with L2X2 coordination planes and long, semi-coordinate bonds to the additional halide ions. All compounds crystallize in monoclinic systems with 1 and 2 in the P21/n space group and 3 and 4 in the P21/c space group. The crystal structures are stabilized by both non-classical (in the case of 1 and 2) and classical (3 and 4) hydrogen bonds. EPR data for 1–4 support a rhombohedral structure, in good agreement with the local geometry as seen in the crystal structures. Magnetic susceptibility measurements show the presence of very weak antiferromagnetic interactions. In addition, the syntheses and magnetic properties of two neutral complexes, [Cu(L3)2X2]·2H2O [L3 = 1-(4′-pyridino)-4-pyridone; X = Cl (5), Br (6)] are reported. Magnetic susceptibility data indicate the presence of moderate antiferromagnetic exchange interactions [J ∼ 28 K (5), 60 K (6)] which were well modeled by the S = 1/2 Heisenberg uniform chain model.</div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"263 ","pages":"Article 117191"},"PeriodicalIF":2.4,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142050386","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

Four new ruthenium(II) coordination compounds bearing coumarin derivatives as anticancer agents 含香豆素衍生物的四种新型钌（II）配位化合物作为抗癌剂

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-20 DOI: 10.1016/j.poly.2024.117192

Qi-Pin Qin , Xiao-Feng Zhou , Ling-Qi Du , Yue-Jiao Liang , Jin-Yuan Cai , Song Sun , Yan Yang

{"title":"Four new ruthenium(II) coordination compounds bearing coumarin derivatives as anticancer agents","authors":"Qi-Pin Qin , Xiao-Feng Zhou , Ling-Qi Du , Yue-Jiao Liang , Jin-Yuan Cai , Song Sun , Yan Yang","doi":"10.1016/j.poly.2024.117192","DOIUrl":"10.1016/j.poly.2024.117192","url":null,"abstract":"<div>Toward the development of effective metal-based coordination drugs for the treatment of cisplatin-resistant cancers, we report four new ruthenium(II) coordination compounds, namely, [RuCl2(yc1)2(DMSO)2] (QY1), [RuCl2(yc2)2(DMSO)2] (QY2), [RuCl2(yc3)2(DMSO)2] (QY3), and [RuCl2(yc4)2(DMSO)2]·1.25H2O (QY4), which contain 3-pyridin-2-yl-chromen-2-one (yc1), 8-methyl-3-pyridin-2-yl-chromen-2-one (yc2), 7-methoxy-3-pyridin-2-yl-chromen-2-one (yc3), and 2-pyridin-2-yl-benzo[f]chromen-3-one (yc4) ligands, respectively. Complex QY4 possessing a more extended planar yc4 ligand showed the highest cytotoxicity against cisplatin-resistant A549/DDP lung cancer cells (R9LC), yielding a remarkably low micromolar IC50 value of 5.02 ± 0.14 μM and low toxicity against embryonic kidney HEK293 (e293) normal cells under equal conditions (IC50 = 88.04 ± 1.03 μM). Notably, QY4 exhibited higher cytotoxicity than QY1–QY3, yc1–yc4, and cisplatin. QY4 and QY1, especially QY4, induced R9LC apoptosis via mitochondrial dysfunction, which involved mitochondrial membrane potential (MP) damage, ROS/Ca2+ activation, and apoptosis protein up-regulation. Thus, these coumarin ruthenium(II) coordination compounds are promising mitochondria-targeting anticancer agents.</div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"263 ","pages":"Article 117192"},"PeriodicalIF":2.4,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142050385","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 metal–organic framework composite loaded with coumarin guests as a turn-on luminescent sensor for detection of cysteine in aqueous solution 负载香豆素客体的金属有机框架复合材料是一种用于检测水溶液中半胱氨酸的开启式发光传感器

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-17 DOI: 10.1016/j.poly.2024.117190

Xi-Xi Wang , Rui-Peng Liu , Ai-Ling Cheng , Qing-Song Xue , En-Qing Gao

引用次数: 0

Exploring the structural variations and magnetic properties of three hexanuclear dysprosium(III) complexes exhibiting single-molecule magnetism behavior 探索三种六核镝(III)配合物的结构变化和磁性能，展示单分子磁学行为

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-17 DOI: 10.1016/j.poly.2024.117189

Ting-Hung Chu , Wen-Qi Zeng , Li-Wei Cheng , Jason D. Braun , David E. Herbert , Po-Heng Lin

{"title":"Exploring the structural variations and magnetic properties of three hexanuclear dysprosium(III) complexes exhibiting single-molecule magnetism behavior","authors":"Ting-Hung Chu , Wen-Qi Zeng , Li-Wei Cheng , Jason D. Braun , David E. Herbert , Po-Heng Lin","doi":"10.1016/j.poly.2024.117189","DOIUrl":"10.1016/j.poly.2024.117189","url":null,"abstract":"<div>Three novel hexanuclear DyIII complexes supported by polyhydroxy Schiff-base ligands, [Dy6(hmc)3(μ-acac)2(acac)3(μ3-OH)4(H2O)2]·2MeCN (1·2MeCN), [Dy6K2(hmc)3(μ-CO3)6(μ3-CO3)4(H2O)2]·8MeOH (2·8MeOH) and [Dy6(hmc)3(μ-OAc)6(μ3-OH)3(H2O)3] (3) (H3hmc: 1,5-bis(2-hydroxy-3-methoxybenzylidene)carbonhydrazide), have been prepared and structurally characterized by single-crystal X-ray diffraction, elemental analysis, and IR spectroscopy. Each of the hexanuclear complexes is constructed from triangular Dy3 building blocks, with the six DyIII ions are arranged in three different conformations. The magnetic properties of three dinuclear DyIII complexes have also been investigated (Fig. S2). The frequency-dependent ac susceptibility is indicative of Single-Molecule Magnet behavior without and/or with optimum dc field for complexes 2 and 3.</div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"263 ","pages":"Article 117189"},"PeriodicalIF":2.4,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142050387","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

O-arylation reaction over lanthanide metal–organic framework: Synthesis, structure and catalytic reaction 镧系金属有机框架上的 O-芳基化反应：合成、结构和催化反应

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-14 DOI: 10.1016/j.poly.2024.117177

Pameli Ghosh, Rakesh Debnath, Subratanath Koner

{"title":"O-arylation reaction over lanthanide metal–organic framework: Synthesis, structure and catalytic reaction","authors":"Pameli Ghosh, Rakesh Debnath, Subratanath Koner","doi":"10.1016/j.poly.2024.117177","DOIUrl":"10.1016/j.poly.2024.117177","url":null,"abstract":"<div>Two novel lanthanide based two-dimensional metal-organic framework (MOF) compounds [Tb(NDC)(NO3)(DMA)2]n (MOF-1) and [Ho(NDC)(NO3)(DMA)2]n (MOF-2) [H2NDC=2,6-naphthalenedicarboxylic acid and DMA=N,N-dimethylacetamide] have been synthesized following solvothermal route and structurally characterized. Structural analysis reveals that both the compounds are crystallized in the orthorhombic crystal system with space group Pbca. MOFs feature a “paddle-wheel” (PW) type core building units which are constructed via carboxylato oxygen coordination with lanthanide atoms. 2D lanthanide based MOFs consist of paddle-wheel building block are rare in the literature. MOF-1 and MOF-2 possess an octa-coordinated metal center. Apart from carboxylato groups, oxygen atoms of DMA and NO3− ions are also coordinated to metal centers. Paddle-wheel cores are interconnected to each other to give rise to layered network structure in both the cases. 2D layers are propagated parallel to bc plane and layers are stacked one upon another along the crystallographic a axis. Notably, both MOF-1 and MOF-2 are capable to catalyze O-arylation reaction efficiently under heterogeneous medium. However, amongst them, catalytic efficacy of MOF-1 towards O-arylation reaction is found to be better than that of MOF-2.</div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"262 ","pages":"Article 117177"},"PeriodicalIF":2.4,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141985373","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

Varied coordination geometries of an Alane/Tris(phosphine) ligand from its Reactions with Pt(0) and Au(I) 从铂(0)和金(I)的反应看一种烷/三(膦)配体的不同配位几何结构

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-14 DOI: 10.1016/j.poly.2024.117178

Samuel R. Lee, Brandy R. Adolph, Nattamai Bhuvanesh, Oleg V. Ozerov

{"title":"Varied coordination geometries of an Alane/Tris(phosphine) ligand from its Reactions with Pt(0) and Au(I)","authors":"Samuel R. Lee, Brandy R. Adolph, Nattamai Bhuvanesh, Oleg V. Ozerov","doi":"10.1016/j.poly.2024.117178","DOIUrl":"10.1016/j.poly.2024.117178","url":null,"abstract":"<div>Reactions of the tris(2-diisopropylphosphino-N-pyrrolyl)alane ligand 1 (AlP3) furnished an (AlP3)Pt complex 2, which was determined to possess a Pt → Al interaction. Compound 2 reacted with CO to form the corresponding isolable adduct 3. Exposure of 2 to H2 or HD in solution resulted in the observation of equilibrium binding which favors 2 at room temperature, and more strongly favored the adducts 2-H2 and 2-HD at −80 °C. The presence of the Pt–H2/HD moieties is supported by low temperature NMR determination of 1JPPt = 323 Hz (2-H2) and 1JHD=34 Hz (2-HD), ostensibly the first examples of Pt dihydrogen complexes with a trigonal bipyramidal geometry. The reaction of 1 with (tht)AuCl (tht = tetrahydrothiophene) generated compound 4 with loss of tht. An XRD study of 4 revealed the transfer of chloride to Al and a long separation between Al and Au coordinated by the three phosphine arms. Abstraction of chloride from 4 did not lead to a tripodal structure isoelectronic to 2, but (according to solution NMR evidence) instead to the transfer of one of the phosphine arms to Al from Au in compound 5.</div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"262 ","pages":"Article 117178"},"PeriodicalIF":2.4,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142011883","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

Assembly of unique interpenetrated metal–organic frameworks based on flexible tetra-carboxylate ligands 组装基于柔性四羧酸配体的独特互穿金属有机框架

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-10 DOI: 10.1016/j.poly.2024.117179

Yu-Hui Luo , Xue-Qi Tan , Quan-Yong Chen , Zhi-Yong Liu , Dong-En Zhang , Dan Tian

{"title":"Assembly of unique interpenetrated metal–organic frameworks based on flexible tetra-carboxylate ligands","authors":"Yu-Hui Luo , Xue-Qi Tan , Quan-Yong Chen , Zhi-Yong Liu , Dong-En Zhang , Dan Tian","doi":"10.1016/j.poly.2024.117179","DOIUrl":"10.1016/j.poly.2024.117179","url":null,"abstract":"<div>Entangled metal–organic frameworks (MOFs) are attracting more and more attentions attributed to their special performances, such as adsorption, fluorescence and catalysis. It is still of significant to synthesize new MOF with unique interpenetrating motif. In this work, two new MOFs, namely [(Me2)NH2]·[In(TCM)]·4DMF (JOU-32), and [Cd2(TCM)(DMF)2]·5DMF (JOU-33), have been successfully synthesized using flexible tetra-carboxylate ligand tetrakis(4-carboxyphenoxymethyl)methane (H4TCM). The structures of JOU-32 and JOU-33 were well characterized by single-crystal X-ray diffraction. It is shown that JOU-32 reveals a rare example of interpenetrating MOF with two different networks disorderedly distributed within the same crystal. JOU-33 is a (4,8)-connected flu topological structure based on [Cd4(COO)8(DMF)2] cluster. The fluorescent properties for both JOU-32 and JOU-33 have also been tested. The average life times for JOU-32 and JOU-33 were detected to be 2.39 and 2.42 ns, respectively. In addition, both JOU-32 and JOU-33 can be utilized as fluorescent probes for detection of NB. This work provides valuable clues for preparing new fluorescent MOFs with attractive structures.</div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"262 ","pages":"Article 117179"},"PeriodicalIF":2.4,"publicationDate":"2024-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141978598","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

Group 10B metal chlorides and chalcogenide derivatives of 2-(N-(diphenylphosphino)amino)-4-methylpyridine: Application of Pd(ΙΙ) derivative as pre-catalyst in the Suzuki cross-coupling reaction 2-(N-(二苯基膦)氨基)-4-甲基吡啶的 10B 族金属氯化物和卤化物衍生物：Pd(ΙΙ)衍生物作为前催化剂在铃木交叉偶联反应中的应用

IF 2.4 3区化学

Polyhedron Pub Date : 2024-08-08 DOI: 10.1016/j.poly.2024.117171

Harbi Tomah Al-Masri , Ziad Moussa , Akram Ali Almejled

引用次数: 0