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Related Concept Videos

Physical Properties of Alkanes02:33

Physical Properties of Alkanes

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Alkanes are nonpolar molecules due to the presence of only carbon and hydrogen atoms. The electronegativity difference between carbon and hydrogen is minimal, and hence alkanes have a zero dipole moment. This leads to the presence of only dispersion forces between the molecules. The strength of dispersion forces is dependent on the surface area of the molecules on which they act. Since the surface area increases with the molecular length for straight-chain alkanes, the dispersion forces also...
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The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ...
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Conformations of Cycloalkanes02:29

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Adolf von Baeyer attempted to explain the instabilities of small and large cycloalkane rings using the concept of angle strain — the strain caused by the deviation of bond angles from the ideal 109.5° tetrahedral value for sp3  hybridized carbons. However, while cyclopropane and cyclobutane are strained, as expected from their highly compressed bond angles, cyclopentane is more strained than predicted, and cyclohexane is virtually strain-free. Hence, Baeyer’s theory that...
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Structure and Bonding of Alkenes02:47

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Olefins, which are unsaturated hydrocarbons containing one or more carbon–carbon double bonds, are broadly divided into alkenes and cycloalkenes. The general chemical formula of an alkene is CnH2n.
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An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
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Alkane Coiling in Perfluoroalkane Solutions: A New Primitive Solvophobic Effect.

Pedro Morgado, Ana Rosa Garcia1, Luís F G Martins2

  • 1Departamento de Química e Farmácia, FCT, Universidade do Algarve , 8000 Faro, Portugal.

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n-alkanes coil in perfluoroalkanes due to dispersion forces, shifting to more globular states. This solvophobic effect impacts fluid properties and phase equilibria in mixed hydrogenated and fluorinated chains.

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Area of Science:

  • Physical Chemistry
  • Chemical Physics
  • Materials Science

Background:

  • Understanding molecular interactions in fluid mixtures is crucial for predicting their properties.
  • Previous studies on similar systems often involved hydrogen bonding or polar interactions.
  • The role of pure dispersion forces in conformational changes of alkanes was less understood.

Purpose of the Study:

  • To investigate the conformational changes of n-alkanes when mixed with perfluoroalkanes.
  • To identify the driving forces behind these conformational shifts.
  • To explore the implications of these changes on fluid properties and phase behavior.

Main Methods:

  • Fourier-transform infrared (FTIR) spectroscopy was used to analyze the conformational states of n-alkanes in mixtures.
  • Molecular dynamics (MD) simulations were employed to support experimental observations and provide molecular-level insights.
  • Analysis focused on the population of trans and gauche conformations in n-alkanes.

Main Results:

  • n-Alkanes exhibit a significant coiling effect when mixed with perfluoroalkanes, favoring globular states.
  • The population of all-trans conformations in n-hexane decreased from 32% to near zero in the presence of perfluorohexane.
  • FTIR spectra indicated nanosegregation between hydrogenated and fluorinated chains, with perfluorohexane spectra remaining unchanged.
  • MD simulations corroborated the experimental findings regarding conformational changes and segregation.

Conclusions:

  • A novel solvophobic effect driven by dispersion interactions induces n-alkane coiling in perfluoroalkane mixtures.
  • This effect alters conformational equilibria, leading to more globular molecular states.
  • The observed nanosegregation and conformational changes are expected to significantly influence the structure, organization, and thermodynamic properties of mixed hydrogenated and fluorinated fluid systems.