Gaseous hetero dimers of perfluoro tert-butyl alcohol with hydrogenated alcohols by infrared spectroscopy and quantum DFT calculations

The path towards type V deep eutectic solvents: inductive effects and steric hindrance in the system tert-butanol + perfluoro tert-butanol

“…The behaviour of TBF as an asymmetric HBD is further supported by previous studies of the liquid phase of mixtures of TBF-TBH (note the resemblance between TBF-TBH and thymol-menthol). 29,30 Using a variety of techniques including vibrational spectroscopy (Raman and infrared) and X-ray diffraction, supported by DFT and MD simulations, it was possible to show that TBF acts as a structure breaker of TBH alcohol networks and that the 1 : 1 TBF-TBH hetero-dimer is the dominant species in the mole fraction concentration range of 0.3-0.7. For mixtures richer in TBF the characteristic monomers of the pure TBF liquid phase become dominant, while for mixtures richer in TBH oligomers start to appear with some relevance of the 2 : 1 trimer TBH-TBF-TBH.…”

Perfluorinated Alcohols at High Pressure: Experimental Liquid Density and Computer Simulations

“…Mixtures of fluorinated and hydrogenated alcohols have also been studied in both the liquid and gaseous phases. − These mixtures display a very complex behavior when compared with mixtures of hydrogenated alcohols. For example, excess volumes are large and positive, whereas those of mixtures of hydrogenated alcohols are practically zero .…”