Stability and behaviour in aqueous solutions of the anionic cubic silsesquioxane substituted with tetramethylammonium

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Stability and behaviour in aqueous solutions of the anionic cubic silsesquioxane substituted with tetramethylammonium. / Nilsson, Emelie J.; Huber, Marina; Carlström, Göran; Söderman, Olle; Bowron, Daniel T.; Edler, Karen J.; Alfredsson, Viveka.

I: Physical Chemistry Chemical Physics, Vol. 21, Nr. 12, 2019, s. 6732-6742.

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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Nilsson, Emelie J. ; Huber, Marina ; Carlström, Göran ; Söderman, Olle ; Bowron, Daniel T. ; Edler, Karen J. ; Alfredsson, Viveka. / Stability and behaviour in aqueous solutions of the anionic cubic silsesquioxane substituted with tetramethylammonium. I: Physical Chemistry Chemical Physics. 2019 ; Vol. 21, Nr. 12. s. 6732-6742.

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TY - JOUR

T1 - Stability and behaviour in aqueous solutions of the anionic cubic silsesquioxane substituted with tetramethylammonium

AU - Nilsson, Emelie J.

AU - Huber, Marina

AU - Carlström, Göran

AU - Söderman, Olle

AU - Bowron, Daniel T.

AU - Edler, Karen J.

AU - Alfredsson, Viveka

PY - 2019

Y1 - 2019

N2 - The aqueous behaviour of the anionic octa-tetramethylammonium substituted cubic silsesquioxane, [N(CH 3 ) 4 ] 8 [Si 8 O 20 ], was studied with quantitative 29 Si-NMR. This molecule partially fragments in aqueous solutions, forming several smaller entities. The most abundant silica species are the monomer, dimer, cyclic trimer, cyclic tetramer and double three-ring. Higher concentrations are required in order to prevent complete fragmentation of the cubic structure. Additives such as alcohols and tetraalkylammonium salts have a stabilising effect on the cubic silsesquioxane, unlike sodium salts that destabilise it. A high concentration solution, containing the non-fragmented molecule as well as entities resulting from fragmentations, was investigated with neutron scattering coupled with modelling, using empirical potential structure refinement (EPSR). The modelling reveals that TMA + ions coordinates to all different silica species, with approximately three TMA + per cube. These are located at the faces of the cube.

AB - The aqueous behaviour of the anionic octa-tetramethylammonium substituted cubic silsesquioxane, [N(CH 3 ) 4 ] 8 [Si 8 O 20 ], was studied with quantitative 29 Si-NMR. This molecule partially fragments in aqueous solutions, forming several smaller entities. The most abundant silica species are the monomer, dimer, cyclic trimer, cyclic tetramer and double three-ring. Higher concentrations are required in order to prevent complete fragmentation of the cubic structure. Additives such as alcohols and tetraalkylammonium salts have a stabilising effect on the cubic silsesquioxane, unlike sodium salts that destabilise it. A high concentration solution, containing the non-fragmented molecule as well as entities resulting from fragmentations, was investigated with neutron scattering coupled with modelling, using empirical potential structure refinement (EPSR). The modelling reveals that TMA + ions coordinates to all different silica species, with approximately three TMA + per cube. These are located at the faces of the cube.

U2 - 10.1039/c8cp05682j

DO - 10.1039/c8cp05682j

M3 - Article

VL - 21

SP - 6732

EP - 6742

JO - Physical chemistry chemical physics : PCCP

JF - Physical chemistry chemical physics : PCCP

SN - 1463-9084

IS - 12

ER -