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Crown-ether-like octanuclear polyoxymolybdenum(v) cluster (NH)[MoO(μ-OH)( -O)(dmtrz)]·62.5HO (dmtrz = 3,5-dimethyltriazole, 1) was successfully synthesized by a hydrothermal method. Its lithium additives Li[MoO(μ-OH)(μ-O)(dmtrz)]·2(Hdmtrz)·27HO (2), Li[MoO(μ-OH)(μ-O)(dmtrz)]·20.5HO (3) and Li[MoO(μ-OH)(μ-O)(dmtrz)]·25HO (4) have also been obtained and fully characterized respectively. The lithium cations are in the forms of mononuclear, dinuclear and tetranuclear units. X-ray structural analyses show that polyoxometalate-based materials 1-4 constitute round pores formed by eight molybdenum-oxygen groups connected sequentially with sizes of 4.6 Å. With 1 as the basic framework, 2-4 combine lithium cations in the forms of different hydrates, respectively. In addition, 1 stacked up intermolecularly with pores of sizes 10.0 × 18.0 Å, while 4 stacked up inter-molecularly with 6.0 × 4.0 Å in the axis and 8.0 × 5.8 Å in the axis, respectively. The results show that 1 can selectively adsorb CO and O, respectively.
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http://dx.doi.org/10.1039/d5ra03010b | DOI Listing |
Phys Chem Chem Phys
September 2025
Computational Inorganic Chemistry Group, Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana 502284, India.
Over the past few years, alkali and alkaline earth metals have emerged as alternative catalysts to transition metal organometallics to catalyze the hydroboration of unsaturated compounds. A highly selective and cost-effective lithium-catalyzed method for the synthesis of an organoborane has been established based on the addition of a B-H bond to an unsaturated bond (polarized or unpolarized) using pinacolborane (HBPin). In the present work, the neosilyllithium-catalyzed hydroboration of nitriles, aldehydes, and esters has been investigated using high-level DLPNO-CCSD(T) calculations to unravel the mechanistic pathways and substrate-dependent reactivity.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
School of Mechanical Engineering, Beijing Institute of Technology, Beijing 100081, China.
High entropy electrolytes show great potential in the design of next generation batteries. Demonstrating how salt components of high entropy electrolytes influence the charge storage performance of batteries is essential in the tuning and design of such advanced electrolytes. This study investigates the transport and interfacial properties for lithium hexafluorophosphate (LiPF) in ethylene carbonate and dimethyl carbonate (EC/DMC) solvent with commonly used additives for high entropy electrolytes (LiTFSI, LiDFOB, and LiNO).
View Article and Find Full Text PDFSmall
September 2025
School of Materials Science and Engineering, East China Jiaotong University, Nanchang, 330013, China.
Covalent organic frameworks (COFs) exhibit outstanding structural tunability, clearly defined ion pathways, and remarkable thermal/chemical stabilities, rendering them highly promising candidates for applications in solid-state electrolytes. However, it remains a challenge to develop a versatile method to incorporate both ionic groups and electron-withdrawing units into a single framework for effectively improving the lithium-ion conductivity. Herein, a series of novel [3+3] defective COFs is successfully synthesized featuring active amine/aldehyde anchoring sites for subsequent post-modification, and regulates the ion conductivity through elaborately tuning the anionic/cationic groups and weak/strong electron-withdrawing units.
View Article and Find Full Text PDFJ Vis Exp
August 2025
Tencent Quantum Laboratory;
Electrolytes are important components in lithium-ion batteries. However, battery degradation due to irreversible electrochemical reactions in the electrolyte can consume electrolyte molecules and severely reduce its effective operation lifetime. It is hence important to study the electrochemical reaction pathways in the battery electrolyte to further improve lithium-ion battery reliability.
View Article and Find Full Text PDFACS Omega
September 2025
Department of Physics, Birla Institute of Technology and Science, Pilani, Pilani Campus, Vidya Vihar, Pilani, Rajasthan 333031, India.
We report the performance of solid-state ceramic supercapacitors (SSCs) based on a novel composite electrolyte comprising aluminum-doped lithium lanthanum titanate perovskite, LiLaTiAlO (Al-doped LLTO), and the ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIM BF). Rietveld refinement of X-ray diffraction data confirms the preservation of the tetragonal perovskite phase after Al substitution, indicating structural stability of the host lattice. X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy further corroborate the successful incorporation of Al without forming secondary phases.
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