Perfluoromalonyl difluoride reacts with TMS-CF3 (1:1) in the presence of KF to give the new diketone CF2(C(O)CF3)2. A large excess (5:1) of TMS-CF3 results in the presumed potassium dialkoxide [(CF3)2COK]2CF2 which yields the 1,3-ditertiarydiol [(CF3)2C(OH)]2CF2 on reaction with H2SO4.
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J Phys Chem A
January 2025
College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, People's Republic of China.
Dimethyl sulfide (CHSCH) is the largest natural source of atmospheric sulfur. Bis(trifluoromethyl) sulfides (CFSCF) are one of the perfluorinated thioethers with great interest as the new refrigerant fluid and dielectric replacement gas for the sake of environmental concern. In order to clarify the effect of fluorine substitution, degradation mechanisms and kinetics for the reactions of CHSCH and CFSCF with OH radicals in the atmosphere have been calculated comprehensively in a comparative manner using various high-level methods.
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September 2023
Laboratoire Hétérochimie Fondamentale et Appliquée (LHFA)., Université Paul Sabatier, CNRS., 118 Route de Narbonne, 31062, Toulouse, France).
Ag compounds are considered strong oxidizers of difficult handling. Accordingly, the involvement of Ag catalysts in cross-coupling via 2e redox sequences is frequently discarded. Nevertheless, organosilver(III) compounds have been authenticated using tetradentate macrocycles or perfluorinated groups as supporting ligands, and since 2014, first examples of cross-coupling enabled by Ag /Ag redox cycles saw light.
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June 2023
Department of Civil and Environmental Engineering, The University of Missouri, Columbia, Missouri 65211, United States.
In this study, we investigated the thermal decomposition mechanisms of perfluoroalkyl ether carboxylic acids (PFECAs) and short-chain perfluoroalkyl carboxylic acids (PFCAs) that have been manufactured as replacements for phased-out per- and polyfluoroalkyl substances (PFAS). C-C, C-F, C-O, O-H, and C═C bond dissociation energies were calculated at the M06-2X/Def2-TZVP level of theory. The α-C and carboxyl-C bond dissociation energy of PFECAs declines with increasing chain length and the attachment of an electron-withdrawing trifluoromethyl (-CF) group to the α-C.
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November 2022
Department of Chemistry, University of Illinois Chicago, 845 W. Taylor St., Chicago, IL 60607, USA.
Fluorochemistry is a field of tremendous developments and advances in several areas of science including materials, pharmaceuticals and agriculture. This makes the design and synthesis of fluorine-containing substances highly desirable research targets. The sub-area of synthetic perfluorinated chemistry proportionately attracts widespread interest by applying to all areas of chemistry including organic and inorganic.
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November 2021
Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, 1049-001 Lisbon, Portugal.
Many chemical processes rely extensively on organic solvents posing safety and environmental concerns. For a successful transfer of some of those chemical processes and reactions to aqueous media, agents acting as solubilizers, or phase-modifiers, are of central importance. In the present work, the structure of aqueous solutions of several ionic liquid systems capable of forming multiple solubilizing environments were modeled by molecular dynamics simulations.
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