The seeming lack of CF HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solutionElectronic supplementary information (ESI) available: FB synthesis procedure. FE, FP and FB conformer geometrical representations, energies and QTAIM molecular graphs. Infrared and 1H and 19F NMR spectra for FE, FP and FB. See DOI: 10.1039/c4cp02463j

The seeming lack of CF HO intramolecular hydrogen bonds in linear aliphatic fluoroalcohols in solutionElectronic supplementary information (ESI) available: FB synthesis procedure. FE, FP and FB conformer geometrical representations, energies and QTAIM molecular graphs. Infrared and 1H and 19F NMR spectra for FE, FP and FB. See DOI: 10.1039/c4cp02463j

No CF HO intramolecular hydrogen bonds (IHBs) in 2-fluoroethanol, 3-fluoropropanol and 4-fluorobutanol can be detected experimentally in solution by NMR and infrared spectroscopies. According to ab initio (MP2/aug-cc-pVDZ) and DFT calculations (B3LYP), a CF HO IHB has no influence on the conformatio...

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Hauptverfasser: Cormanich, R. A, Rittner, R, Freitas, M. P, Bühl, M
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Sprache:eng
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