A high-throughput virtual screening (HTVS)-guided experimental study is applied for the large-scale exploration of quinone-like anolytes aqueous redox flow batteries (ARFBs). This includes design a focused chemical library inspired by stable molecules, quantum prediction properties, machine learning solubility, automated search commercial availability on vendor databases, and electrochemical ch...

The ionic liquid 1-butyl-3-methyl-imidazolium hydrogen sulfate, [bmim]HSO4, was used as a catalyst and reaction medium for the pyrrole synthesis, and a wide range of aliphatic, aromatic, heteroaromatic and carboxylic 1,4-diketones easily underwent condensations with aniline and ethylenediamine to form polysubstituted pyrroles. Sequential decarboxylation/Paal-Knorr pyrrole condensation was obser...

In the title compound, C(7)H(9)N(2)O(4) (+)·I(3) (-)·C(7)H(8)N(2)O(4), the two imidazolium units are hydrogen bonded through the carboxyl groups. The units are further linked via inter-molecular O-H⋯O hydrogen bonding, resulting in a one-dimensional ladder-type structure. As a result, the two carb-oxy groups of each imidazolium unit adopt a cis configuration with respect to the imidazolium ring.

Two decarboxylative methods providing access to N-alkylated α-trihalomethylated heterocyclic amines have been developed. A batch protocol in which methyl trifluoroacetate acts both as a methylating reagent and subsequently as a nucleophilic trifluoromethyl anion precursor upon its addition to (iso)quinoline derivatives. Next, a telescoped continuous flow process, forming the corresponding α-tri...

Abstract Organic redox flow batteries are a promising technology for grid‐scale energy storage from renewable resources. However, the chemical instability of organic electrolytes prohibits wide‐scale commercial implementation as materials. Therefore, understanding their degradation is essential to develop new and resilient electrolyte In this article, we comparatively studied pathways 4,5‐dihyd...

Abstract The syntheses of [Cu(PPh 3 ) 2 (L)]NO and (L-SO Na)]NO were achieved through the reaction Cu(PPh NO equimolar amount ligands (L = 5,6-diphenyl-3-[2-pyridyl]-1,2,4-triazine; LSO Na 5,6-diphenyl-3-[2-pyridyl]-1,2,4-triazine-4,4?-disulfonic acid disodium salt). complexes characterized by NMR IR spectroscopy mass spectrometry. compounds exhibit similar absorption emission spectra, suggesti...

An evaluation of the chromium(VI) adsorption capacity of four magnetite sorbents coated with a polymer phase containing polymethacrylic acid or polyallyl-3-methylimidazolium is presented. Factors that influence the chromium(VI) removal such as solution pH and contact time were investigated in batch experiments and in stirred tank reactor mode. Affinity and rate constants increased with the mola...

Both unique Cd atoms in the tetra-gonal polymorph of bis-(1-ethyl-3-methyl-imidazolium) tetra-bromido-cadmate, (C6H11N2)2[CdBr4], occupy special positions (site symmetry -4). The crystal structure consists of isolated tetra-hedral [CdBr4](2-) anions which are surrounded by 1-ethyl-3-methyl-imidazolium cations. The methyl and ethyl side chains of the cations show positional disorder in a 0.590 (...