Pentafluoroethylaluminates: A Combined Synthetic, Spectroscopic, and Structural Study.
Lisa A BischoffJarno RieferRaphael WirthensohnTobias BischofRüdiger BertermannNikolai V Ignat'evMaik FinzePublished in: Chemistry (Weinheim an der Bergstrasse, Germany) (2020)
Salts of the tetrakis(pentafluoroethyl)aluminate anion [Al(C2 F5 )4 ]- were obtained from AlCl3 and LiC2 F5 . They were isolated with different counter-cations and characterized by NMR and vibrational spectroscopy and mass spectrometry. Degradation of the [Al(C2 F5 )4 ]- ion was found to proceed via 1,2-fluorine shifts and stepwise loss of CF(CF3 ) under formation of [(C2 F5 )4-n AlFn ]- (n=1-4) as assessed by NMR spectroscopy and mass spectrometry and supported by results of DFT calculations. In addition, the [(C2 F5 )AlF3 ]- ion was structurally characterized.
Keyphrases
- mass spectrometry
- high resolution
- density functional theory
- ionic liquid
- cystic fibrosis
- liquid chromatography
- molecular docking
- molecular dynamics simulations
- gas chromatography
- capillary electrophoresis
- high performance liquid chromatography
- molecular dynamics
- magnetic resonance
- solid state
- single molecule
- positron emission tomography
- computed tomography
- tandem mass spectrometry
- monte carlo