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Ru(II)-Based Multitopic Hosts for Fullerene Binding: Impact of the Anion in the Recognition Process.
Inorg Chem
January 2025
GIR MIOMeT, IU CINQUIMA/Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, Valladolid E47011, Spain.
The development of multitopic hosts for fullerene recognition based on nonplanar corannulene (CH) structures presents challenges, primarily due to the requirement for synergistic interactions with multiple units of this polycyclic aromatic hydrocarbon. Moreover, increasing the number of corannulene groups in a single chemical structure while avoiding the cost of increasing flexibility has been scarcely explored. Herein, we report the synthesis of a family of multitopic Ru(II)-polypyridyl complexes bearing up to six units of corannulene arranged by pairs, offering a total of three molecular tweezers.
View Article and Find Full Text PDFSteric and Electronic Effects of Zirconocenealkyl-Borate Ion Pairs on Catalyst Activation: A Theoretical Study.
ACS Omega
January 2025
Unit of Excellence in Computational Molecular Science and Catalysis, and Division of Chemistry, School of Science, University of Phayao, Phayao 56000, Thailand.
The effectiveness of metallocene catalysts in the cationic ring-opening polymerization (cationic ROP) of ε-caprolactone (CL) is influenced by the choice of metallocene/borate systems, particularly their bulkiness. Recent research examines this effect on the initiation and propagation stages of cationic ROP. We conducted a density functional theory study on the precatalyst activation of cationic CL ROP by zirconocene/borate catalysts, where four models of zirconocene precatalysts (CpZrMe (), (MeCp)CpZrMe (), (MeCp)ZrMe (), and IndZrMe ()) were combined with boron cocatalysts B(CF) and [X][B(CF) ] (X = PhC or PhMeNH).
View Article and Find Full Text PDFNonionic Amphiphilic Copolymers of Poly(poly(ethylene Glycol) Methacrylate) Brushes with Methyl Methacrylate Prepared by Atom Transfer Radical Polymerization as Dry Solid Polymer Electrolytes for Next Generation Li-ion Battery Applications.
ACS Appl Energy Mater
December 2024
Department of Chemical and Environmental Process Engineering, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3, Budapest H-1111, Hungary.
Amphiphilic copolymers of comb-like poly(poly(ethylene glycol) methacrylate) (PPEGMA) with methyl methacrylate (MMA) synthesized by one-pot atom transfer radical polymerization were mixed with lithium bis (trifluoromethanesulfonyl) imide salt to formulate dry solid polymer electrolytes (DSPE) for semisolid-state Li-ion battery applications. The PEO-type side chain length (EO monomer's number) in the PEGMA macromonomer units was varied, and its influence on the mechanical and electrochemical characteristics was investigated. It was found that the copolymers, due to the presence of PMMA segments, possess viscoelastic behavior and less change in mechanical properties than a PEO homopolymer with 100 kDa molecular weight in the investigated temperature range.
View Article and Find Full Text PDFRedox-Active Triazole-Derived Mesoionic Imines with Ferrocenyl Substituents and their Metal Complexes: Directed Hydrogen-Bonding, Unusual C-H Activation and Ion-Pair Formation.
Chemistry
June 2024
Universität Stuttgart, Institut für Anorganische Chemie, Pfaffenwaldring 55, 70569, Stuttgart.
Article Synopsis
- - The study focuses on the synthesis and complexation of ferrocenyl-substituted mesoionic imines (MIIs), highlighting strong hydrogen bonding between their components in both solid and solution states.
- - Uniquely, the complexation with [IrCp*Cl] leads to the formation of rare six-membered iridacycles, driven by C-H activation at the ferrocenyl group, contrary to expectations based on previous findings.
- - The research also explores how variations in solvent polarity and the resulting interactions can significantly alter the properties of the resulting iridium complexes, as well as examining their redox behavior through various methods.
Finding a perfect match of ion-exchanger and plasticizer for ion-selective sensors.
Talanta
March 2024
Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093, Warsaw, Poland. Electronic address:
Application of neutral ionophore based ion-selective sensors requires presence of ion-exchanger in the receptor phase, silently assuming that it is not only soluble but also dissociates to ions in the applied plasticizer. Although for typically applied ion-selective membrane constituents (plasticizers - ion-exchanger pairs) dissociation of ion-exchangers to ions is proven by theoretical (or close to) performance of resulting sensors, search for alternative plasticizers or ion-exchangers requires a method allowing estimation of the match of properties of involved compounds. In this work we propose a simple optical approach allowing estimation of ion-exchanger interactions with plasticizer.
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