Dalton Transactions最新文献_第3页

Ag(I) induced H-type and Pd(II) induced J-type phthalocyanines to enhance PDT applications: synthesis, optical behaviors, photochemical/photophysical properties, and DFT studies. Ag(I)诱导h型和Pd（II）诱导j型酞菁增强PDT应用：合成、光学行为、光化学/光物理性质和DFT研究。

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-27 DOI: 10.1039/d5dt00590f

Elif Polat, Ahmet Turgut Bilgicli, Tenzile Alagöz, Hayriye Genç Bilgiçli, Hasan Pişkin, Burak Tuzun, Armağan Günsel, Ali Erdogmus, Meryem Nilüfer Yaraşır

{"title":"Ag(I) induced H-type and Pd(II) induced J-type phthalocyanines to enhance PDT applications: synthesis, optical behaviors, photochemical/photophysical properties, and DFT studies.","authors":"Elif Polat, Ahmet Turgut Bilgicli, Tenzile Alagöz, Hayriye Genç Bilgiçli, Hasan Pişkin, Burak Tuzun, Armağan Günsel, Ali Erdogmus, Meryem Nilüfer Yaraşır","doi":"10.1039/d5dt00590f","DOIUrl":"https://doi.org/10.1039/d5dt00590f","url":null,"abstract":"The literature shows that thiol compounds are important in various diseases, such as oxidative stress, enzymatic reactions, the respiratory system, metabolic disorders, and cancer. Thus, it is important to prepare derivatives of phthalocyanines, which have an important place in macrocyclic chemistry, substituted with biologically active thiol groups. Within the scope of this study, novel phthalonitrile derivative 3-(4-bromobenzylthio)phthalonitrile (1) and its metallophthalocyanine derivatives [ZnPc (2), CuPc (3), and CoPc (4)] were synthesized. The synthesized compounds were characterized by the combination of standard spectroscopic methods. The molecular structure of the synthesized phthalonitrile derivative and its related crystallographic features were determined by the single-crystal X-ray data analysis. The substitution with the thiol group of phthalocyanine molecules gives them high solubility features in organic solvents. Thus, the effect of self-aggregation behaviors on electronic spectra was determined in organic solvent media. Also, optical sensor properties in the presence of valuable metal ions were investigated by UV-Vis and fluorescence spectroscopy. Furthermore, the photochemical and photophysical properties of newly synthesized phthalocyanines were studied. Finally, the effect of Ag+ and Pd2+ ions on the singlet oxygen quantum yield was performed. According to the results, the newly synthesized ZnPc (2) is a good candidate for PDT as a photosensitizer. Also, the singlet oxygen quantum yield is highly improved in the presence of valuable metal ions such as Ag+ and Pd2+ ions.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"5 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154275","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

Antimony vs bismuth: structural differences in Cat{[MCl5](I2)} halogen bond-linked supramolecular complexes 锑与铋：Cat{[MCl5](I2)}卤素键联超分子配合物的结构差异

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-27 DOI: 10.1039/d5dt00697j

Nikita A. Korobeynikov, Andrey N. Usoltsev, Maksim Nailyevich Sokolov, Alexander S. Novikov, Sergey A Adonin

引用次数: 0

Photocatalyst based on transition metal-Schiff base ligand and V-doped Kegging-type polyoxometalate for efficient and stable CO2 reduction 基于过渡金属-希夫碱配体和v掺杂kegging型多金属氧酸盐的高效稳定CO2还原光催化剂

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-27 DOI: 10.1039/d5dt01081k

Xiaoyu Bai, Yu Lv, Pinfang Yan, Jiulin Zhou, Jilei Wang, Hua Mei, Yan Xu

{"title":"Photocatalyst based on transition metal-Schiff base ligand and V-doped Kegging-type polyoxometalate for efficient and stable CO2 reduction","authors":"Xiaoyu Bai, Yu Lv, Pinfang Yan, Jiulin Zhou, Jilei Wang, Hua Mei, Yan Xu","doi":"10.1039/d5dt01081k","DOIUrl":"https://doi.org/10.1039/d5dt01081k","url":null,"abstract":"In order to simultaneously control the greenhouse effect and solve the problem of energy depletion, the strategy of converting CO2 into other energy can be used. In this work, two Keggin-type polyoxometalate-based compounds were synthesized by the hydrothermal method: [(Co(C11H15N7O2)(H2O)2]4{[(Co(C11H15N7O2)(H2O)]2(PWVI11VIVO40)} (PWVI9WV2VIVO40)·14.5H2O (1) and [(Fe(C11H15N7O2)(H2O)2]3{[(Fe(C11H15N7O2)(H2O)]2(BW12O40)}(BW12O40)·11H2O (2). Structural analysis of compound 1 indicate that an interesting V-doped Keggin-type (PWVI11VIVO40)5- anion is succesfully bonded two [(Co(C11H15N7O2)(H2O)]2+ cations to generate a hybrid [(Co(C11H15N7O2)(H2O)]2(PWVI11VIVO40) unit. Through a series of photocatalytic CO2 reduction reaction (CO2RR) experiments, it was found that compound 1 has good photocatalytic performance. The CO generation rate can reach 7081.4 μmol·g-1·h-1 and the selectivity is 83.8%. In addition, the stable and efficient photocatalytic activity of compound 1 was verified after four cycle photocatalytic experiments, which provided a new idea for CO2 photoreduction to CO. While the CO production rates of 103.5 μmol·g-1·h-1 for compound 2. This is because the adsorption energy of CO on Co is lower than Fe. Furthermore, the V-modified of compound 1 enhance CO2 adsorption to promote CO2 conversion.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"84 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154103","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

Dicationic ionic liquids with difluorophosphate anions 含二氟磷酸盐阴离子的阳离子液体

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-27 DOI: 10.1039/d5dt00930h

Kentaro Kamada, Kohei Nishimoto, Toshiki Nokami, Hideto Nakajima, Jinkwang Hwang, Kazuhiko Matsumoto

{"title":"Dicationic ionic liquids with difluorophosphate anions","authors":"Kentaro Kamada, Kohei Nishimoto, Toshiki Nokami, Hideto Nakajima, Jinkwang Hwang, Kazuhiko Matsumoto","doi":"10.1039/d5dt00930h","DOIUrl":"https://doi.org/10.1039/d5dt00930h","url":null,"abstract":"Dicationic ionic liquids can be diversely designed by tuning the spacer and cationic center structures. Their potentially superior features compared to conventional ionic liquids include enhanced thermal stability and a wide potential window, making them promising candidates as electrolytes for secondary batteries. However, there are relatively few reports on dicationic ionic liquids, and the relationship between their structure and physical properties remains largely unexplored. In this study, a series of dicationic ionic liquids are synthesized using PO2F2−. The effects of cationic, anionic, and linker structures on their physical and electrochemical properties are discussed through different analytical and computational methods. The cationic structures examined include pyrrolidinium, ammonium, and imidazolium, while the anionic impact was pursued by comparing the case with BF4−. The dicationic ionic liquid with an ether linker emerged as a promising candidate due to its high ionic conductivity and wide electrochemical window among all the tested salts.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"83 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145429","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

Crown-Ether Coordination Compounds of Zirconium, Hafnium and Scandium Using Metal Nanoparticles 利用金属纳米颗粒制备锆、铪、钪的冠醚配位化合物

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-27 DOI: 10.1039/d5dt00968e

Lara-Pauline Faden, Lkhamsuren Bayarjargal, Victor Milman, Bjoern Winkler, Claus Feldmann

{"title":"Crown-Ether Coordination Compounds of Zirconium, Hafnium and Scandium Using Metal Nanoparticles","authors":"Lara-Pauline Faden, Lkhamsuren Bayarjargal, Victor Milman, Bjoern Winkler, Claus Feldmann","doi":"10.1039/d5dt00968e","DOIUrl":"https://doi.org/10.1039/d5dt00968e","url":null,"abstract":"Crown-ether coordination compounds of zirconium, hafnium and scandium were rarely reported in the past. Conventional syntheses via Lewis-acid-base reactions or metathesis reactions suffer from the high Lewis acidity and high oxophilicity of Zr4+, Hf4+ and Sc3+. Therefore, a redox approach using nanoparticles of zerovalent zirconium, hafnium, and scandium is suggested here. Zr(0), Hf(0), Sc(0) nanoparticles, 2-8 nm in size, are prepared by reduction of ZrCl4, HfCl4 and ScCl3 with sodium naphthalenide in a liquid-phase synthesis. The as-prepared Zr(0), Hf(0), Sc(0) nanoparticles are reacted in ionic liquids with 12-crown-4 (12c4), 15-crown-5 (15c5) and 18-crown-6 (18c6) exhibiting ring-opening diameters of 140 to 300 pm. As a result, four new crown-ether coordination complexes are obtained and characterized by single-crystal structure X-ray analysis. The structural variety ranges from the layered structure [AlCl2(12c4)][NaAl2Cl8] (1) over the chiral chain-type compounds [ZrCl2(15c5)][Na2Al4Cl16] (2) and [HfCl2(15c5)][Na2Al4Cl16] (3) to [ScCl2(18c6)][AlCl4] (4) with isolated ions. All compounds crystallize in space groups without inversion symmetry. Exemplarily, this was confirmed via second-harmonic generation (SHG) measurements of [ZrCl2(15c5)][Na2Al4Cl16] and [ScCl2(18c6)][AlCl4], whereof the latter shows a strong SHG signal (comparable to KH2PO4/KDP) and implies to be phase matchable.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"132 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145433","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

The impact of second coordination sphere functional group extension on product selectivity for manganese bipyridyl CO2 reduction electrocatalysts 第二配位球官能团扩展对联吡啶锰CO2还原电催化剂产物选择性的影响

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-27 DOI: 10.1039/d5dt00157a

Lisa Suntrup, Vanna Blasczak, Roonak Saeedi, Mehmed Z. Ertem, Jonathan Rochford

{"title":"The impact of second coordination sphere functional group extension on product selectivity for manganese bipyridyl CO2 reduction electrocatalysts","authors":"Lisa Suntrup, Vanna Blasczak, Roonak Saeedi, Mehmed Z. Ertem, Jonathan Rochford","doi":"10.1039/d5dt00157a","DOIUrl":"https://doi.org/10.1039/d5dt00157a","url":null,"abstract":"Utilizing the well established manganese bipyridyl class of homogeneous electrocatalyst, four new ligands are studied to probe the influence of distal, outer coordination sphere, H-bonding and steric effects on product selectivity for proton-coupled electrocatalytic CO2 reduction. The presence of a simple acetate functional group in the second coordination sphere provides a high selectivy for CO2-to-CO conversion irrespective of proton source (H2O vs. PhOH) or applied potential. The o-(methoxybenzoate)phenyl second/outer coordination sphere at the bipyridyl 6,6′-positions imparts poor product selectivity. In contrast, upon conjugation of the acetate functional group with the N-Boc-alanine moiety, a CO : HCO2− product selectivity of ∼1 : 1 is observed at the high overpotential catalytic wave (for both H2O and PhOH acids). Computed enthalpy and free energy of activation parameters suggest that selective CO2 insertion at the manganese hydride transition state is favored, over protonation, consistent with negligible hydrogen production during controlled potential electrolysis studies.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"6 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144145727","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

Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds 氨基酸镓基化合物的分子结构与热重性质的关系

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-26 DOI: 10.1039/d5dt00944h

Paul-Alexis Pavard, Eva Pugliese, Damien Coutancier, Valérie Albin, Nicolas Casaretto, Sophie Bourcier, Virginie Lair, Armelle Ringuedé, Audrey Auffrant, Nathanaelle Schneider

{"title":"Relationship between molecular structures and thermogravimetric properties of gallium-amidinate based compounds","authors":"Paul-Alexis Pavard, Eva Pugliese, Damien Coutancier, Valérie Albin, Nicolas Casaretto, Sophie Bourcier, Virginie Lair, Armelle Ringuedé, Audrey Auffrant, Nathanaelle Schneider","doi":"10.1039/d5dt00944h","DOIUrl":"https://doi.org/10.1039/d5dt00944h","url":null,"abstract":"The ability to predict the thermal properties of molecular compounds is essential for their successful integration into vapor-phase processes such as atomic layer deposition (ALD) and chemical vapor deposition (CVD), as well as in catalysis and materials synthesis. In this work, we present a systematic study of 24 gallium amidinate complexes, designed to explore the relationship between molecular structure and thermal behavior. The series encompasses a range of structural variations: different ligand substituents, molecular symmetry, and co-ligands. Structural characterization, including in some cases single-crystal X-ray diffraction, was combined with detailed thermal analysis using thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) under both atmospheric and reduced pressure conditions. The results reveal clear correlations between thermal properties and ligand architecture, with features such as alkyl chain type, methyl group presence, and overall symmetry playing key roles in determining volatility and stability. Importantly, both symmetric and dissymmetric complexes were found to possess the desired thermal characteristics for vapor-phase deposition processes. Beyond offering valuable design principles for gallium precursors, the dataset generated herein provides a foundation for improving predictive models—empirical and AI-driven alike—towards the rational development of next-generation functional molecular compounds.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"82 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136728","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

Assembling 4f and 3d-4f clusters as single-molecule magnets by automatic fixation of atmospheric CO2 通过自动固定大气CO2，将4f和3d-4f簇组装成单分子磁铁

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-26 DOI: 10.1039/d5dt01070e

Cai-Ming Liu

引用次数: 0

Regulation mechanism and application evolution of elemental doping in NiFe-based electrocatalysts for Oxygen Evolution Reaction 元素掺杂镍铁基析氧电催化剂的调控机理及应用进展

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-26 DOI: 10.1039/d5dt00350d

Yu-Xin Zhang, Yu-Sheng Zhang, Hai-Yi Sun, Ting Li, Na Xu, Yongming Chai, Bin Dong

{"title":"Regulation mechanism and application evolution of elemental doping in NiFe-based electrocatalysts for Oxygen Evolution Reaction","authors":"Yu-Xin Zhang, Yu-Sheng Zhang, Hai-Yi Sun, Ting Li, Na Xu, Yongming Chai, Bin Dong","doi":"10.1039/d5dt00350d","DOIUrl":"https://doi.org/10.1039/d5dt00350d","url":null,"abstract":"NiFe-based electrocatalysts are promising for green hydrogen production due to their low cost, high elemental abundance, and excellent intrinsic oxygen evolution reaction (OER) activity. However, industrial implementation remains hindered by insufficient activity, poor stability, low conductivity, and alkaline corrosion. Among many improvement strategies, elemental doping has emerged as an effective optimization strategy, but its mechanism remains unclear. In response to these problems, we systematically summarize the regulation mechanism and application evolution of elemental doping in NiFe-based electrocatalysts. Alkaline OER catalytic mechanism and doping-enhanced activity principles are outlined. Subsequently, the regulation mechanism of elemental doping in NiFe-based electrocatalysts is analyzed from multiple dimensions including metal element doping, nonmetallic element doping, and dual or multiple doping. Finally, the discussion is extended from laboratory research to application evolution of seawater electrolysis and industrial electrolyzer, providing guidance and reference for advancing scalable hydrogen production technologies.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"33 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136731","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

Artificial solid electrolyte interphases by atomic and molecular layer deposition 采用原子层和分子层沉积方法制备人工固体电解质界面

IF 4 3区化学

Dalton Transactions Pub Date : 2025-05-26 DOI: 10.1039/d5dt00526d

Milad Madadi, Ville Miikkulainen, Maarit Karppinen

{"title":"Artificial solid electrolyte interphases by atomic and molecular layer deposition","authors":"Milad Madadi, Ville Miikkulainen, Maarit Karppinen","doi":"10.1039/d5dt00526d","DOIUrl":"https://doi.org/10.1039/d5dt00526d","url":null,"abstract":"Atomic layer deposition (ALD) and molecular layer deposition (MLD) are techniques known for their unique capability to produce pinhole-free and conformal thin films uniformly, even on complex 3D architectures and powders, with sub-nm thickness control. Owing to these characteristics, they are recognized as highly promising techniques for the fabrication of ultrathin protective coatings on Li-ion battery components to improve battery performance and lifetime. In the early studies, the focus was on archetypal ALD materials such as Al2O3, but recently the scope has considerably widened to cover various Li-based materials, aiming at a better ionic conductivity and enhanced Li-ion kinetics in the coating, as well as ALD/MLD-grown metal–organics with enhanced elasticity and mechanical flexibility to better moderate the volume changes in the coated electrode materials during battery charge–discharge cycling. Also, to most closely mimic the solid-electrolyte interphase (SEI) layers that naturally form in state-of-the-art Li-ion batteries, the layer should include carbonate species. In this perspectival review, we present a brief account of the current state of this exciting and timely research field, and discuss the foreseen prospects and challenges for progress.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"7 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154108","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