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61.
Sajjad H. Sumrra Abrar U. Hassan Muhammad Imran Muhammad Khalid Ehsan U. Mughal Muhammad N. Zafar Muhammad N. Tahir Muhammad A. Raza Ataualpa A.C. Braga 《应用有机金属化学》2020,34(7):e5623
This study reports the synthesis of sulfonamide-derived Schiff bases as ligands L 1 and L 2 as well as their transition metal complexes [VO(IV), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II)]. The Schiff bases (4-{E-[(2-hydroxy-3-methoxyphenyl)methylidene]amino}benzene-1-sulfonamide ( L 1 ) and 4-{[(2-hydroxy-3-methoxyphenyl)methylidene]amino}-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide ( L 2 ) were synthesized by the condensation reaction of 4-aminobenzene-1-sulfonamide and 4-amino-N-(3-methyl-2,3-dihydro-1,2-oxazol-5-yl)benzene-1-sulfonamide with 2-hydroxy-3-methoxybenzaldehyde in an equimolar ratio. Sulfonamide core ligands behaved as bidentate ligands and coordinated with transition metals via nitrogen of azomethine and the oxygen of the hydroxyl group. Ligand L 1 was recovered in its crystalline form and was analyzed by single-crystal X-ray diffraction technique which held monoclinic crystal system with space group (P21/c). The structures of the ligands L 1 and L 2 and their transition metal complexes were established by their physical (melting point, color, yields, solubility, magnetic susceptibility, and conductance measurements), spectral (UV–visible [UV–Vis], Fourier transform infrared spectroscopy, 1H NMR, 13C NMR, and mass analysis), and analytical (CHN analysis) techniques. Furthermore, computational analysis (vibrational bands, frontier molecular orbitals (FMOs), and natural bonding orbitals [NBOs]) were performed for ligands through density functional theory utilizing B3LYP/6-311+G(d,p) level and UV–Vis analysis was carried out by time-dependent density functional theory. Theoretical spectroscopic data were in line with the experimental spectroscopic data. NBO analysis confirmed the extraordinary stability of the ligands in their conjugative interactions. Global reactivity parameters computed from the FMO energies indicated the ligands were bioactive by nature. These procedures ensured the charge transfer phenomenon for the ligands and reasonable relevance was established with experimental results. The synthesized compounds were screened for antimicrobial activities against bacterial (Streptococcus aureus, Bacillus subtilis, Eshcheria coli, and Klebsiella pneomoniae) species and fungal (Aspergillus niger and Aspergillus flavous) strains. A further assay was designed for screening of their antioxidant activities (2,2-diphenyl-1-picrylhydrazine radical scavenging activity, total phenolic contents, and total iron reducing power) and enzyme inhibition properties (amylase, protease, acetylcholinesterase, and butyrylcholinesterase). The substantial results of these activities proved the ligands and their transition metal complexes to be bioactive in their nature. 相似文献
62.
Yuqing Yang Ehsan Raee Prof. Tianbo Liu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(10):e202104332
A unique trend in the binding affinity between cationic metal−organic cages (MOCs) and external counteranions in aqueous media was observed. Similar to many macroions, two MOCs, sharing similar structures but carrying different number of charges, self-assembled into hollow spherical single-layered blackberry-type structures through counterion-mediated attraction. Dynamic and static light scattering and isothermal titration calorimetry measurements confirm the stronger interactions among less charged MOCs and counteranions than that of highly charged MOCs, leading to larger assembly sizes. DOSY NMR measurements suggest the significance of thick hydration shells of highly charged MOCs, inhibiting the MOC-counterion binding and weakening the interaction between them. This study demonstrates that the greater role played by hydration shell on ion-pair formation comparing with charge density of MOCs. 相似文献
63.
Shang Chen Shuiyin Chen Dengji Han Christopher W. Bielawski Jianxin Geng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(51):e202201580
Lithium (Li) metal has attracted significant attention in areas that range from basic research to various commercial applications due to its high theoretical specific capacity (3860 mA h g−1) and low electrochemical potential (−3.04 vs. standard hydrogen electrode). However, dendrites often form on the surfaces of Li metal anodes during cycling and thus lead to battery failure and, in some cases, raise safety concerns. To overcome this problem, a variety of approaches that vary the electrolyte, membrane, and/or anode have been proposed. Among these efforts, the use of three-dimensional frameworks as Li hosts, which can homogenize and minimize the current density at the anode surface, is an effective approach to suppress the formation of Li dendrites. Herein, we describe the development of using carbon-based materials as Li hosts. While these materials can be fabricated into a variety of porous structures, they have a number of intrinsic advantages including low costs, high specific surface areas, high electrical conductivities, and wide electrochemical stabilities. After briefly summarizing the formation mechanisms of Li dendrites, various methods for controlling structural and surface chemistry will be described for different types of carbon-based materials from the viewpoint of improving their performance as Li hosts. Finally, we provide perspective on the future development of Li host materials needed to meet the requirements for their use in flexible and wearable devices and other contemporary energy storage techniques. 相似文献
64.
Semiconductor materials containing bismuth have attracted the attention of researchers over the past several decades, as a result of their high photocatalytic activity in various reactions and/or high efficiency in their photoelectric conversion of solar energy. This interest originated from the observations that bismuth-containing semiconductors have a sufficiently small bandgap, which makes them sensitive to radiation in the visible spectral range; thus, visible-light-active materials. Among the various bismuth-containing semiconductor materials, the bismuthates of alkaline earth metals are distinguished and describe into separate groups. This article reviews research on the known methods of obtaining bismuthates of various alkaline earth metals (magnesium, calcium, strontium, and barium), and further analyzes their composition, structure, and visible-light-active photocatalytic activity. 相似文献
65.
Yong Guan Huanyao Zhang Anna Zheng Dafu Wei Jian Hu Zhenzhen Wang Xiang Xu 《先进技术聚合物》2019,30(7):1555-1563
Recently, silicone rubber (VMQ) was extensively used in household articles and medical devices. To develop a kind of safe and long‐term antimicrobial VMQ was of great significance. In this work, a kind of vinyl‐contained polyhexamethylene guanidine hydrochloride (VPHMG) was synthesized and used as antimicrobial additive for VMQ. With the increasing of VPHMG addition, the mechanical properties and antimicrobial properties of VMQ‐VPHMG were significantly improved. In particular, the antimicrobial rates against Escherichia coli and Staphylococcus aureus were higher than 99.99% as for 4 wt% of VPHMG addition. Moreover, the surface concentration of VPHMG as well as the antimicrobial rates revealed almost unchanged after being extracted by water and methanol. All the results indicated the vinyl‐contained VPHMG vulcanization and therefore provided the permanent antimicrobial performance for VMQ. 相似文献
66.
To overcome the weak carbon dioxide (CO2) conversion ability of Zn‐Co double metal cyanide (DMC) catalyst, zinc glutarate (ZnGA) catalyst was introduced into the DMC catalytic system and applied for the synthesis of oligo (propylene‐carbonate) diols. The DMC/ZnGA composite catalyst (mass ratio = 10:1) exhibited an excellent synergistic effect which had enhanced CO2 activation ability, high yield and good selectivity. In copolymerization process, ZnGA catalyst not only provided activated CO2 for DMC catalyst, but also transferred the propagating chain with more alternating structures to DMC catalyst. Both of the two effects increased the carbonate content in the final products. Overall, DMC catalyst dedicated to the polymer chain growth, while the increased CO2 conversion mainly attributed to ZnGA catalyst. Oligo (propylene‐carbonate) diols with carbonate unit content of 45.1 mol%, Mn of 1228 g/mol, WPC of 4.3 wt% and high yield of 1689 g/g cat was obtained. 相似文献
67.
Lianghao Song Tiantian Xu Daowei Gao Prof. Xun Hu Prof. Cuncheng Li Prof. Shun Li Prof. Guozhu Chen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(26):6621-6627
CeO2-based catalysts are widely studied in catalysis fields. Developing one novel synthetic approach to increase the intimate contact between CeO2 and secondary species is of particular importance for enhancing catalytic activities. Herein, an interfacial reaction between metal–organic framework (MOF)-derived carbon and KMnO4 to synthesize CeO2−MnO2, in which carbon is derived from the pyrolysis of Ce-MOFs under an inert atmosphere, is described. The MOF-derived carbon is found to restrain the growth of CeO2 crystallites under a high calcination temperature and, more importantly, intimate contact within CeO2/C is conveyed to CeO2/MnO2 after the interfacial reaction; this is responsible for the high catalytic activity of CeO2−MnO2 towards CO oxidation. 相似文献
68.
Ethan M. Cunningham Alexander S. Gentleman Peter W. Beardsmore 《Molecular physics》2019,117(21):2990-3000
ABSTRACTWe present the results of a combined experimental and computational study of the structures of gas-phase M+(N2O)n (M?=?Li, Al) complexes. Infrared spectra were recorded in the region of the N2O asymmetric (N?=?N) stretch using photodissociation spectroscopy employing the inert messenger technique. Unlike in our previous studies on M+(N2O)n (M?=?Cu, Ag, Au and M?=?Co, Rh, Ir) complexes, N– and O–bound isomers in this case are near isoenergetic and are not distinguished spectroscopically at this resolution. In the case of Li+ complexes, there is, however, evidence for the presence of bound N2 moieties, indicating the presence of inserted, OLi+N2(N2O)n–type structures. The weak N2 band lies to the blue of the signature of molecularly N– and O–bound ligands and is well–reproduced in the simulated spectra of energetically low-lying structures computed from density functional theory. No such inserted isomers are observed in the case of Al+(N2O)n complexes whose infrared spectra can be understood on the basis of molecularly-bound N2O ligands. The differences in M+(N2O)n structures observed for these closed–shell, ns2, metal centres relative to other metal cations are discussed in terms of the likely bonding motifs. 相似文献
69.
Dr. Chao Zhao Dr. Louise Male Dr. Tzu-Yu Chen Joseph A. Barker Dr. Ian J. Shannon Dr. Paul A. Anderson 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(61):13865-13868
(NH4)2[Zn2(O3PCH2CH2COO)2]⋅5 H2O (BIRM-1) is a new metal phosphonate material, synthesized through a simple hydrothermal reaction between zinc nitrate and 3-phosphonopropionic acid, using urea and tetraethylammonium bromide as the reaction medium. In common with other metal–organic framework materials, BIRM-1 has a large three-dimensional porous structure providing potential access to a high internal surface area. Unlike most others, it has the advantage of containing ammonium cations within the pores and has the ability to undergo cation exchange. Additionally, BIRM-1 also exhibits a reversible dehydration behavior involving an amorphization-recrystallization cycle. The ability to undergo ion exchange and dynamic structural behavior are of interest in their own right, but also increase the range of potential applications for this material. Here the crystal structure of this new metal phosphonate and its ion exchange behavior with K+ as an exemplar are studied in detail, and its unusual structure-reviving property reported. 相似文献
70.
Xin Cheng Dr. Zi-Yu Li Li-Hui Mou Yi Ren Dr. Qing-Yu Liu Prof. Dr. Xun-Lei Ding Prof. Dr. Sheng-Gui He 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(72):16523-16527
The side-on-end-on coordination of N2 can be very important to activate and functionalize this very stable molecule. However, such coordination has rarely been reported. This study reports a gas-phase species (a polynuclear vanadium nitride cluster anion [V5N5]−) that can capture N2 efficiently (12 %), and the quantum chemistry modelling suggests an unusual side-on-end-on coordination. The cluster anions were generated by laser ablation and the reaction with N2 has been characterized by mass spectrometry, photoelectron imaging spectroscopy, and density functional theory calculations. The back-donation interactions between the localized d–d bonding orbitals on the low-coordinated dual metal (V) sites and the antibonding π* orbitals of N2 are the driving forces to adsorb N2 with a high binding energy (about 2.0 eV). 相似文献