Stability and behaviour in aqueous solutions of the anionic cubic silsesquioxane substituted with tetramethylammonium
Literature Information
Emelie J. Nilsson, Marina Huber, Göran Carlström, Olle Söderman, Daniel T. Bowron, Viveka Alfredsson
The aqueous behaviour of the anionic octa-tetramethylammonium substituted cubic silsesquioxane, [N(CH3)4]8[Si8O20], was studied with quantitative 29Si-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.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.


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