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A neutron scattering and modelling study of aqueous solutions of tetramethylammonium and tetrapropylammonium bromide

Nilsson, Emelie J. LU ; Alfredsson, Viveka LU ; Bowron, Daniel T. and Edler, Karen J. LU (2016) In Physical Chemistry Chemical Physics 18(16). p.11193-11201
Abstract

We have investigated the properties in water of two tetraalkylammonium bromides (tetramethylammonium, TMA+, and tetrapropylammonium, TPA+), at 0.4 M, using neutron scattering coupled with empirical potential structure refinement to arrive at an atomistic description. Having both a polar and an apolar moiety, it is of interest to determine the strength of each moiety as a function of the alkyl chain length. TMA+ and TPA+, having different impact as structure directors in zeolite synthesis, were chosen for this study. Water arranges tetrahedrally around TMA+ and in an almost featureless manner around TPA+. TMA+ and TPA+ show an apolar hydration with... (More)

We have investigated the properties in water of two tetraalkylammonium bromides (tetramethylammonium, TMA+, and tetrapropylammonium, TPA+), at 0.4 M, using neutron scattering coupled with empirical potential structure refinement to arrive at an atomistic description. Having both a polar and an apolar moiety, it is of interest to determine the strength of each moiety as a function of the alkyl chain length. TMA+ and TPA+, having different impact as structure directors in zeolite synthesis, were chosen for this study. Water arranges tetrahedrally around TMA+ and in an almost featureless manner around TPA+. TMA+ and TPA+ show an apolar hydration with TPA+ being slightly more apolar. TPA+ has a tendency to form small clusters of 2-4 molecules and to fold into a compact configuration. Both molecules correlate similarly with the bromide ion but do not dissociate completely at this concentration.

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organization
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type
Contribution to journal
publication status
published
subject
in
Physical Chemistry Chemical Physics
volume
18
issue
16
pages
9 pages
publisher
The Royal Society of Chemistry
external identifiers
  • scopus:84967333745
  • wos:000374786300060
ISSN
1463-9076
DOI
10.1039/c6cp01389a
language
English
LU publication?
yes
id
ef2fa8cf-a605-4832-87b6-9c386b404920
date added to LUP
2016-09-30 10:31:26
date last changed
2017-04-30 17:37:44
@article{ef2fa8cf-a605-4832-87b6-9c386b404920,
  abstract     = {<p>We have investigated the properties in water of two tetraalkylammonium bromides (tetramethylammonium, TMA<sup>+</sup>, and tetrapropylammonium, TPA<sup>+</sup>), at 0.4 M, using neutron scattering coupled with empirical potential structure refinement to arrive at an atomistic description. Having both a polar and an apolar moiety, it is of interest to determine the strength of each moiety as a function of the alkyl chain length. TMA<sup>+</sup> and TPA<sup>+</sup>, having different impact as structure directors in zeolite synthesis, were chosen for this study. Water arranges tetrahedrally around TMA<sup>+</sup> and in an almost featureless manner around TPA<sup>+</sup>. TMA<sup>+</sup> and TPA<sup>+</sup> show an apolar hydration with TPA<sup>+</sup> being slightly more apolar. TPA<sup>+</sup> has a tendency to form small clusters of 2-4 molecules and to fold into a compact configuration. Both molecules correlate similarly with the bromide ion but do not dissociate completely at this concentration.</p>},
  author       = {Nilsson, Emelie J. and Alfredsson, Viveka and Bowron, Daniel T. and Edler, Karen J.},
  issn         = {1463-9076},
  language     = {eng},
  month        = {04},
  number       = {16},
  pages        = {11193--11201},
  publisher    = {The Royal Society of Chemistry},
  series       = {Physical Chemistry Chemical Physics},
  title        = {A neutron scattering and modelling study of aqueous solutions of tetramethylammonium and tetrapropylammonium bromide},
  url          = {http://dx.doi.org/10.1039/c6cp01389a},
  volume       = {18},
  year         = {2016},
}