Hydrogen-bond dynamics of C-H...O interactions: the chloroform...acetone case

Chemistry : a European Journal
Pedro D VazJohn Tomkinson

Abstract

Spectroscopic evidence for C-H...O hydrogen bonding in chloroform...acetone [Cl(3)CH...O=C(CH(3))(2)] mixtures was obtained from vibrational inelastic neutron scattering (INS) spectra. Comparison between the INS spectra of pure samples and their binary mixtures reveals the presence of new bands at about 82, 130 and 170 cm(-1). Assignment of the 82 cm(-1) band to the nuO...H anti-translational mode is considered and discussed. In addition, the betaC-H mode of CHCl(3) at 1242 cm(-1) is split in the spectra of the mixtures, and the high-wavenumber component is assigned to the hydrogen-bonded complex. The plot of the integrated intensity of this component shows a maximum for x=0.5, in agreement with the 1:1 stoichiometry of the chloroformacetone complex, with a calculated complexation constant of 0.15 dm(3) mol(-1). Results also show that the complex behaves as an independent entity, that is, despite being weak, such interactions play a key role in supramolecular chemistry.

References

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Citations

Mar 10, 2011·The Journal of Chemical Physics·Steve Scheiner
Apr 28, 2016·Physical Chemistry Chemical Physics : PCCP·Cristina I FernandesCarla D Nunes
Jul 2, 2016·Physical Chemistry Chemical Physics : PCCP·J J ShephardC G Salzmann
Jun 3, 2011·Acta Crystallographica. Section C, Crystal Structure Communications·José A FernandesFilipe A Almeida Paz
Dec 18, 2019·Physical Chemistry Chemical Physics : PCCP·Carla D NunesPedro D Vaz
Mar 17, 2017·Physical Review. E·Vyacheslav V ObukhovskyOleksii O Ilchenko
Mar 22, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Mariela M NolascoPaulo Ribeiro-Claro
Sep 3, 2020·The Journal of Chemical Physics·Maximiliano Inafuku, Ernesto Marceca
Jul 7, 2011·The Journal of Physical Chemistry. a·Steve Scheiner
Sep 10, 2011·The Journal of Physical Chemistry. a·Steve Scheiner, Upendra Adhikari

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