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|Title: ||Alkane Coiling in Perfluoroalkane Solutions: A New Primitive Solvophobic Effect|
|Authors: ||Morgado, Pedro|
Garcia, Ana Rosa
Martins, Luís F. G.
Ilharco, Laura M.
Filipe, Eduardo J. M.
|Issue Date: ||Sep-2017|
|Publisher: ||ACS Publications|
|Citation: ||Pedro Morgado, Ana Rosa Garcia, Luís F. G. Martins, Laura M. Ilharco, Eduardo J. M. Filipe, Langmuir, 2017, 33, 11429−11435|
|Abstract: ||In this work, we demonstrate that n-alkanes coil when mixed with
perfluoroalkanes, changing their conformational equilibria to more globular states,
with a higher number of gauche conformations. The new coiling effect is here
observed in fluids governed exclusively by dispersion interactions, contrary to other
examples in which hydrogen bonding and polarity play important roles. FTIR spectra
of liquid mixtures of n-hexane and perfluorohexane unambiguously reveal that the
population of n-hexane molecules in all-trans conformation reduces from 32% in the
pure n-alkane to practically zero. The spectra of perfluorohexane remain unchanged,
suggesting nanosegregation of the hydrogenated and fluorinated chains. Molecular
dynamics simulations support this analysis. The new solvophobic effect is prone to
have a major impact on the structure, organization, and therefore thermodynamic
properties and phase equilibria of fluids involving mixed hydrogenated and
|Appears in Collections:||CQE - Publicações - Artigos em Revistas Internacionais Com Arbitragem Científica|
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