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A Novel Zero-Thermal-Quenching Red Phosphor with High Quantum Efficiency and Color Purity 一种具有高量子效率和色纯度的新型零热猝灭红色荧光粉
Pub Date : 2023-10-15 DOI: 10.3390/inorganics11100406
Tianyang Zhao, Shiqi Zhang, Dachuan Zhu
In this paper, a series of K5La1-x(MoO4)4: xSm3+ and K5La0.86(MoO4)4: 0.07Sm3+, 0.07Ln3+ (Ln = Sc, Y or Gd) red phosphors were prepared by calcining the mixed raw powders at 600 °C. Meanwhile, the composition and fluorescence properties of the phosphors, especially for the thermal stability, were analyzed in detail. The results indicate that the K5La1-x(MoO4)4: xSm3+ phosphors can be effectively excited at 401 nm and emit red light with three main peaks at 561 nm, 600 nm and 646 nm, attributed to the 4G5/2→6Hj/2 (j = 5, 7 and 9) energy transitions of the Sm3+ ion respectively, among which the K5La0.93(MoO4)4: 0.07Sm3+ exhibits the highest intensity. The quenching mechanism is ascribed to the dipole-dipole interaction. Ln3+ co-doping does not change the shape and peaking position of the excitation and emission spectra of K5La0.93(MoO4)4: 0.07Sm3+, but further increases the emission intensity in different degrees. Particularly, K5La0.86(MoO4)4: 0.07Sm3+, 0.07Gd3+ demonstrates a high quantum efficiency of 74.63%, a low color temperature (1753 K), and a high color purity of up to 99.97%. It is worth noting that all the phosphors have a good thermal stability, even a zero quenching phenomenon occurs, attributed to the electron traps confirmed by the TL spectrum.
本文将混合原料粉在600℃下煅烧制备了K5La1-x(MoO4)4: xSm3+和K5La0.86(MoO4)4: 0.07Sm3+, 0.07Ln3+ (Ln = Sc, Y或Gd)红色荧光粉。同时,详细分析了荧光粉的组成和荧光性质,特别是热稳定性。结果表明:K5La1-x(MoO4)4: xSm3+荧光粉能在401 nm处被有效激发,并在561 nm、600 nm和646 nm处有3个主峰发出红光,这主要归因于Sm3+离子的4G5/2→6Hj/2 (j = 5、7和9)能量跃迁,其中K5La0.93(MoO4)4: 0.07Sm3+的强度最高。猝灭机理归因于偶极-偶极相互作用。Ln3+共掺杂没有改变K5La0.93(MoO4)4: 0.07Sm3+激发和发射光谱的形状和峰位,但不同程度地进一步提高了发射强度。其中,K5La0.86(MoO4)4: 0.07Sm3+, 0.07Gd3+具有74.63%的高量子效率、1753 K的低色温和99.97%的高色纯度。值得注意的是,所有荧光粉都具有良好的热稳定性,甚至出现零猝灭现象,这归因于TL谱证实的电子陷阱。
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引用次数: 0
Nanocomposites for Photocatalysis 光催化纳米复合材料
Pub Date : 2023-10-14 DOI: 10.3390/inorganics11100404
Alejandro Perez-Larios, Oomman K. Varghese
Dr [...]
博士[…]
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引用次数: 0
The Structures and Bonding of Bismuth-Doped Boron Clusters: BiB4− and BiB5− 掺铋硼簇BiB4 -和BiB5 -的结构和键合
Pub Date : 2023-10-14 DOI: 10.3390/inorganics11100405
Hyun Wook Choi, Wei-Jia Chen, G. Stephen Kocheril, Dao-Fu Yuan, Lai-Sheng Wang
We present an investigation on the structures and chemical bonding of two Bi-doped boron clusters BiBn− (n = 4, 5) using photoelectron spectroscopy and theoretical calculations. The electron affinities of BiB4 and BiB5 are measured to be 2.22(2) eV and 2.61(2) eV, respectively. Well-resolved photoelectron spectra are obtained and used to compare with theoretical calculations to verify the structures of BiB4− and BiB5−. Both clusters adopt planar structures with the Bi atom bonded to the periphery of the planar Bn moiety. Chemical bonding analyses reveal that the Bn moiety maintains σ and π double-aromaticity. The Bi atom is found to induce relatively small structural changes to the Bn moiety, very different from transition metal-doped boron clusters.
本文利用光电子能谱和理论计算研究了两种双掺杂硼簇BiBn−(n = 4,5)的结构和化学键。测得BiB4和BiB5的电子亲和力分别为2.22(2)eV和2.61(2)eV。得到了分辨率很高的光电子能谱,并与理论计算进行了比较,验证了BiB4 -和BiB5 -的结构。两种簇都采用平面结构,Bi原子与平面Bn部分的外围键合。化学键分析表明,Bn部分保持了σ和π双芳构性。发现Bi原子对Bn部分的结构变化相对较小,与过渡金属掺杂的硼团簇非常不同。
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引用次数: 0
Highly Wrinkled Porous Polypyrrole for the Enhancement of the Performance of an Fe2S3-Fe2O3/poly-O-amino Benzenethiol Supercapacitor from a Basic Medium 高起皱多孔聚吡咯在碱性介质中增强Fe2S3-Fe2O3/聚o -氨基苯硫醇超级电容器性能
Pub Date : 2023-10-13 DOI: 10.3390/inorganics11100402
Mohamed Rabia, Maha Abdallah Alnuwaiser, Fuead Hasan, Ahmed Adel A. Abdelazeez
In this study, O-amino benzenethiol (OABT) was oxidized in one pot using Fe(NO3)3 to produce a novel Fe2S3-Fe2O3/poly O-amino benzenethiol (POABT), which showed a highly uniform morphology. At the same time, from SEM analysis, highly wrinkled porous polypyrrole (Ppy) and porous ball-like POABT structures prepared from the K2S2O8 route were evidenced by SEM and TEM analyses. A nanocomposite pseudo-supercapacitor (SC) was fabricated using Fe2S3-Fe2O3/POABT, and its performance was tested with and without incorporating Ppy in the paste. The results indicate that Ppy significantly increased the specific capacitance (CS) values, indicating an enhancement in charge storage. At a current density of 0.2 A/g, the CS values were 44 F/g and 161 F/g for the paste without and with Ppy, respectively. Additionally, the E was calculated, and the incorporation of Ppy resulted in a significant increase in E, reaching 30 W.h.kg−1; this was significantly higher than the value of 8.18 W.h.kg−1 observed without Ppy materials. This effect is likely due to the improved charge transfer facilitated by the presence of Ppy, as evidenced by the Nyquist plot, where the Rct values were 1.1 Ω and 2.1 Ω with and without Ppy, respectively. Overall, the low cost and significant technical advantages of this capacitor make it a promising candidate for commercial applications.
在本研究中,用Fe(NO3)3在一锅中氧化o -氨基苯乙醇(OABT),制得新型Fe2S3-Fe2O3/聚o -氨基苯乙醇(POABT),其形貌高度均匀。同时,SEM和TEM分析证实了K2S2O8制备的多孔聚吡咯(Ppy)和多孔球状POABT结构具有高度褶皱性。采用Fe2S3-Fe2O3/POABT制备了一种纳米复合伪超级电容器(SC),并对其性能进行了测试。结果表明,Ppy显著提高了比电容(CS)值,表明电荷存储能力增强。电流密度为0.2 a /g时,无Ppy膏体的CS值为44 F/g,含Ppy膏体的CS值为161 F/g。结果表明,Ppy的掺入使E显著增加,达到30 W.h.kg−1;这一数值显著高于未添加Ppy材料时的8.18 W.h.kg−1。这种效应可能是由于Ppy的存在促进了电荷转移的改善,Nyquist图证明了这一点,其中有Ppy和没有Ppy的Rct值分别为1.1 Ω和2.1 Ω。总的来说,这种电容器的低成本和显著的技术优势使其成为商业应用的有希望的候选者。
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引用次数: 0
GaAs Quantum Dot Confined with a Woods–Saxon Potential: Role of Structural Parameters on Binding Energy and Optical Absorption 具有Woods-Saxon势的GaAs量子点:结构参数对结合能和光吸收的影响
Pub Date : 2023-10-13 DOI: 10.3390/inorganics11100401
Hassen Dakhlaoui, Walid Belhadj, Haykel Elabidi, Fatih Ungan, Bryan M. Wong
We present the first detailed study of optical absorption coefficients (OACs) in a GaAs quantum dot confined with a Woods–Saxon potential containing a hydrogenic impurity at its center. We use a finite difference method to solve the Schrödinger equation within the framework of the effective mass approximation. First, we compute energy levels and probability densities for different parameters governing the confining potential. We then calculate dipole matrix elements and energy differences, E1p−E1s, and discuss their role with respect to the OACs. Our findings demonstrate the important role of these parameters in tuning the OAC to enable blue or red shifts and alter its amplitude. Our simulations provide a guided path to fabricating new optoelectronic devices by adjusting the confining potential shape.
我们首次详细研究了中心含有氢杂质的woodssaxon势限制的GaAs量子点的光学吸收系数(OACs)。我们使用有限差分法在有效质量近似的框架内求解Schrödinger方程。首先,我们计算了控制围势的不同参数的能级和概率密度。然后我们计算了偶极矩阵元素和能量差,E1p−E1s,并讨论了它们在oac中的作用。我们的发现证明了这些参数在调整OAC以实现蓝移或红移并改变其幅度方面的重要作用。我们的模拟为通过调整限制电位形状来制造新的光电器件提供了指导路径。
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引用次数: 0
Solid State Phosphorescence Enhancement of PtII-Based Emitters Via Combination of π-Hole(Isocyano Group)⋅⋅⋅ dz2[PtII] and I···Cl Halogen-Bonding Interactions π-空穴(异氰基)⋅⋅⋅dz2[PtII]和I···Cl卤素键结合增强PtII基发射体的固态磷光
Pub Date : 2023-10-13 DOI: 10.3390/inorganics11100403
Svetlana A. Katkova, Elina V. Antonova, Anna M. Cheranyova, Daniil M. Ivanov, Mikhail A. Kinzhalov
The PtII isocyanide complex [Pt(ppy)Cl(CNC6H4-C≡C-Ph)] (1, Hppy=2-phenylpyridine) was co-crystallized with 1,4-diiodotetrafluorobenzene (1,4-DITFB), yielding 1·½(1,4-DITFB) adduct. The I···Cl halogen-bonding and π-π-stacking interactions combined with the rare π-hole(isocyano group)⋅⋅⋅dz2[PtII] interactions were identified via analysis of X-ray diffraction data of the co-crystals. These two types of structure-determining interactions supplemented each other, and the system of I⋯Cl and π-hole(isocyano group)⋅⋅⋅dz2[PtII] contacts achieved a 1D extended ladder-type architecture. The density functional theory calculations, employing a set of computational tools, verified the role of I⋯Cl and π-hole(isocyano group)⋅⋅⋅dz2[PtII] noncovalent bonds in the spectrum of noncovalent forces. The solid-state photophysical study revealed an amplification of luminescence intensity in the co-crystals, which is attributed to the suppression of the nonradiative relaxation pathways due to an increase in the rigidity of the chromophore center.
PtII异氰化物配合物[Pt(ppy)Cl(CNC6H4-C≡C-Ph)] (1,happy =2-苯基吡啶)与1,4-二碘四氟苯(1,4- ditfb)共结晶,得到1·½(1,4- ditfb)加合物。通过对共晶x射线衍射数据的分析,确定了I···Cl卤素键和π-π-堆叠相互作用以及稀有π-空穴(异氰基)·⋅⋅dz2[PtII]相互作用。这两种决定结构的相互作用相互补充,I⋯Cl与π-空穴(异氰基)·⋅⋅dz2[PtII]接触体系实现了一维扩展阶梯型结构。密度泛函理论计算,采用一套计算工具,验证了I⋯Cl和π-空穴(异氰基)⋅⋅dz2[PtII]非共价键在非共价力谱中的作用。固态光物理研究揭示了共晶中发光强度的放大,这是由于发色团中心刚性的增加抑制了非辐射弛豫途径。
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引用次数: 0
An Electrochemically Prepared Mixed Phase of Cobalt Hydroxide/Oxyhydroxide as a Cathode for Aqueous Zinc Ion Batteries 电化学制备氢氧化钴/氢氧化氧混合相作为锌离子电池正极
Pub Date : 2023-10-12 DOI: 10.3390/inorganics11100400
Fuwei Li, Yunbo Zhu, Hiroshi Ueno, Ting Deng
Cobalt hydroxide is a widely studied electrode material for supercapacitor and alkaline zinc ion batteries. The large interlayer spacing of Co(OH)2 is also attractive to store Zn ions. However, Co(OH)2 is quite unstable in the acidic ZnSO4 electrolyte due to its amphoteric nature. Herein, we synthesized a mixed phase of Co(OH)2/CoOOH via a two-step electrochemical preparation. As the cathode material for an aqueous zinc ion battery (AZIB), Co(OH)2/CoOOH delivered a maximum capacity of 164 mAh g−1 at 0.05 A g−1 and a high energy density of 275 Wh kg−1. Benefiting from the low charge-transfer resistance, a capacity of 87 mAh g−1 was maintained at 1.6 A g−1, showing a good rate performance of the mixed phase. Various spectroscopy analyses and simulations based on the density functional theory (DFT) suggested a higher thermal stability of the mixed phase than pure Co(OH)2, due to its less local structural disorder. The reduced Co-Co and Co-O shells increased the mechanical strength of the mixed phase to accommodate Zn2+ ions and endure the electrostatic repulsion, resulting in an enhanced cycling stability. The mixed phased also delivered a good stability at the current density of 0.05 A g−1. After 200 cycles, a capacity retention of 78% was retained, with high Coulombic efficiencies. These results provide a new route to synthesize high-performance LDH for aqueous zinc ion batteries.
氢氧化钴是一种被广泛研究的超级电容器和碱性锌离子电池电极材料。Co(OH)2的大层间距也有利于Zn离子的储存。然而,由于Co(OH)2的两性性质,它在酸性ZnSO4电解质中非常不稳定。本文采用两步电化学法制备了Co(OH)2/CoOOH混合相。作为水性锌离子电池(AZIB)的正极材料,Co(OH)2/CoOOH在0.05 a g−1时的最大容量为164 mAh g−1,能量密度为275 Wh kg−1。由于具有较低的电荷转移电阻,在1.6 a g−1时可保持87 mAh g−1的容量,表现出良好的混合相速率性能。基于密度泛函理论(DFT)的各种光谱分析和模拟表明,混合相的热稳定性比纯Co(OH)2高,因为其局部结构无序性较小。减少的Co-Co和Co-O壳层增加了混合相的机械强度,以容纳Zn2+离子并承受静电排斥,从而增强了循环稳定性。混合相在0.05 a g−1的电流密度下也具有良好的稳定性。经过200次循环后,容量保留率为78%,库仑效率很高。这些结果为制备高性能锌离子电池用LDH提供了一条新途径。
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引用次数: 0
Synthesis, Characterization, DNA Binding and Cytotoxicity of Copper(II) Phenylcarboxylate Complexes 苯基羧酸铜配合物的合成、表征、DNA结合和细胞毒性
Pub Date : 2023-10-11 DOI: 10.3390/inorganics11100398
Carlos Y. Fernández, Analu Rocha, Mohammad Azam, Natalia Alvarez, Kim Min, Alzir A. Batista, Antonio J. Costa-Filho, Javier Ellena, Gianella Facchin
Coordination compounds of copper exhibit cytotoxic activity and are suitable for the search for novel drug candidates for cancer treatment. In this work, we synthesized three copper(II) carboxylate complexes, [Cu2(3-(4-hydroxyphenyl)propanoate)4(H2O)2]·2H2O (C1), [Cu2(phenylpropanoate)4(H2O)2] (C2) and [Cu2(phenylacetate)4] (C3), and characterized them by elemental analysis and spectroscopic methods. Single-crystal X-ray diffraction of C1 showed the dinuclear paddle-wheel arrangement typical of Cu–carboxylate complexes in the crystal structure. In an aqueous solution, the complexes remain as dimeric units, as studied by UV-visible spectroscopy. The lipophilicity (partition coefficient) and the DNA binding (UV visible and viscosity) studies evidence that the complexes bind the DNA with low Kb constants. In vitro cytotoxicity studies on human cancer cell lines of metastatic breast adenocarcinoma (MDA-MB-231, MCF-7), lung epithelial carcinoma (A549) and cisplatin-resistant ovarian carcinoma (A2780cis), as well as a nontumoral lung cell line (MRC-5), indicate that the complexes are cytotoxic in cisplatin-resistant cells.
铜的配位化合物表现出细胞毒性活性,适合于寻找新的癌症治疗候选药物。本文合成了三种羧酸铜配合物[Cu2(3-(4-羟基苯基)propanate)4(H2O)2]·2H2O (C1), [Cu2(苯基propanate)4(H2O)2] (C2)和[Cu2(phenylacetate)4] (C3),并通过元素分析和光谱方法对其进行了表征。单晶x射线衍射显示C1的晶体结构为典型的羧酸铜配合物的双核桨轮排列。在水溶液中,配合物保持为二聚体单位,如紫外可见光谱研究。亲脂性(分配系数)和DNA结合性(紫外可见性和黏度)研究表明,配合物与低Kb常数的DNA结合。对转移性乳腺腺癌(MDA-MB-231, MCF-7)、肺上皮癌(A549)和顺铂耐药卵巢癌(A2780cis)以及非肿瘤肺细胞系(MRC-5)的体外细胞毒性研究表明,这些复合物对顺铂耐药细胞具有细胞毒性。
{"title":"Synthesis, Characterization, DNA Binding and Cytotoxicity of Copper(II) Phenylcarboxylate Complexes","authors":"Carlos Y. Fernández, Analu Rocha, Mohammad Azam, Natalia Alvarez, Kim Min, Alzir A. Batista, Antonio J. Costa-Filho, Javier Ellena, Gianella Facchin","doi":"10.3390/inorganics11100398","DOIUrl":"https://doi.org/10.3390/inorganics11100398","url":null,"abstract":"Coordination compounds of copper exhibit cytotoxic activity and are suitable for the search for novel drug candidates for cancer treatment. In this work, we synthesized three copper(II) carboxylate complexes, [Cu2(3-(4-hydroxyphenyl)propanoate)4(H2O)2]·2H2O (C1), [Cu2(phenylpropanoate)4(H2O)2] (C2) and [Cu2(phenylacetate)4] (C3), and characterized them by elemental analysis and spectroscopic methods. Single-crystal X-ray diffraction of C1 showed the dinuclear paddle-wheel arrangement typical of Cu–carboxylate complexes in the crystal structure. In an aqueous solution, the complexes remain as dimeric units, as studied by UV-visible spectroscopy. The lipophilicity (partition coefficient) and the DNA binding (UV visible and viscosity) studies evidence that the complexes bind the DNA with low Kb constants. In vitro cytotoxicity studies on human cancer cell lines of metastatic breast adenocarcinoma (MDA-MB-231, MCF-7), lung epithelial carcinoma (A549) and cisplatin-resistant ovarian carcinoma (A2780cis), as well as a nontumoral lung cell line (MRC-5), indicate that the complexes are cytotoxic in cisplatin-resistant cells.","PeriodicalId":13580,"journal":{"name":"Inorganics (Basel)","volume":"2 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136212498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent Progress in Source/Drain Ohmic Contact with β-Ga2O3 β-Ga2O3源/漏欧姆接触研究进展
Pub Date : 2023-10-11 DOI: 10.3390/inorganics11100397
Lin-Qing Zhang, Wan-Qing Miao, Xiao-Li Wu, Jing-Yi Ding, Shao-Yong Qin, Jia-Jia Liu, Ya-Ting Tian, Zhi-Yan Wu, Yan Zhang, Qian Xing, Peng-Fei Wang
β-Ga2O3, with excellent bandgap, breakdown field, and thermal stability properties, is considered to be one of the most promising candidates for power devices including field-effect transistors (FETs) and for other applications such as Schottky barrier diodes (SBDs) and solar-blind ultraviolet photodetectors. Ohmic contact is one of the key steps in the β-Ga2O3 device fabrication process for power applications. Ohmic contact techniques have been developed in recent years, and they are summarized in this review. First, the basic theory of metal–semiconductor contact is introduced. After that, the representative literature related to Ohmic contact with β-Ga2O3 is summarized and analyzed, including the electrical properties, interface microstructure, Ohmic contact formation mechanism, and contact reliability. In addition, the promising alternative schemes, including novel annealing techniques and Au-free contact materials, which are compatible with the CMOS process, are discussed. This review will help our theoretical understanding of Ohmic contact in β-Ga2O3 devices as well as the development trends of Ohmic contact schemes.
β-Ga2O3具有优异的带隙、击穿场和热稳定性,被认为是功率器件(包括场效应晶体管(fet))和其他应用(如肖特基势垒二极管(sdd)和太阳盲紫外光电探测器)最有前途的候选者之一。欧姆接触是大功率β-Ga2O3器件制造过程中的关键步骤之一。本文对近年来发展起来的欧姆接触技术进行了综述。首先,介绍了金属-半导体接触的基本理论。然后,对β-Ga2O3与欧姆接触相关的代表性文献进行了总结和分析,包括电学性能、界面微观结构、欧姆接触形成机理、接触可靠性等。此外,还讨论了有前途的替代方案,包括新的退火技术和与CMOS工艺兼容的无金触点材料。本文综述有助于我们对β-Ga2O3器件欧姆接触的理论认识以及欧姆接触方案的发展趋势。
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引用次数: 0
A Single Biaryl Monophosphine Ligand Motif—The Multiverse of Coordination Modes 一个偶芳基单膦配体基序——配位模式的多元宇宙
Pub Date : 2023-10-11 DOI: 10.3390/inorganics11100399
Barbara Miroslaw, Izabela Dybala, Radomir Jasiński, Oleg M. Demchuk
Biaryl monophosphines are important precursors to active catalysts of palladium-mediated cross-coupling reactions. The efficiency of the phosphine-based transition metal complex catalyst has its origin in the electronic structure of the complex used and the sterical hindrance created by the ligand at an active catalyst site. The aim of this paper is to shed some light on the multiverse of coordination modes of biaryl monophosphine ligands. Here, we present the analysis of the X-ray single crystal structures of palladium(II) complexes of a family of biaryl monophosphine ligands and the first crystallographic report on a related phosphine sulfide. Despite the common biaryl monophosphine ligand motif, they show diverse coordination modes (i) starting from the activation of aromatic C atoms and producing a C,P metallacycle, through (ii) the O,P chelation to Pd(II) ions with a simultaneous demethylation reaction of one of the methoxy groups, ending up with (iii) the monodentate coordination to metal cations via P atoms or (iv) via S atoms in the case of phosphine sulfide. We relate our results to the crystal structures found in the Cambridge Structural Database to show the multiverse of coordination modes in the group of biaryl monophosphine ligands.
联芳基单膦是钯介导的交叉偶联反应活性催化剂的重要前体。膦基过渡金属配合物催化剂的效率源于所使用的配合物的电子结构和配体在活性催化剂位点产生的位阻。本文的目的是揭示偶芳基单膦配体的多重配位模式。本文分析了一类联芳基单膦配体钯(II)配合物的x射线单晶结构,并首次报道了一种相关的硫化氢晶体结构。尽管有共同的联芳基单膦配体基序,但它们表现出不同的配位模式(i)从活化芳族C原子开始,通过(ii) O,P与Pd(ii)离子的螯合,同时与其中一个甲氧基进行去甲基化反应,最终(iii)通过P原子与金属阳离子的单齿配位,或(iv)在硫化磷的情况下通过S原子与金属阳离子的配位。我们将我们的结果与剑桥结构数据库中发现的晶体结构联系起来,以显示联芳基单膦配体群中的多重配位模式。
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引用次数: 0
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Inorganics (Basel)
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