Crystal structures of Mg2+, Ba2+ and Cs+ exchanged K–Na–ETS-4

Microporous titanosilicates Cu2+– and Co2+–ETS-4 for storage and slow release of therapeutic nitric oxide

“…Slight changes in the XRD pattern were previously reported for other cation-exchanged ETS-4 materials. [14][15][16] The Na + cations in the Na-ETS-4 structure (Fig. 1) reside at the centre of the 6-member rings (site 1) and between the ve and six coordinated Ti 4+ at the 8-member pore walls (site 2) (Fig.…”

A microporous titanosilicate for selective killing of HeLa cancer cells

“…A recent single crystal study of Ba-exchanged ETS-4 again suggested the possibility of six-coordinated titanium in the bridging unit. 24 Our results showed that Zn-exchanged crystals of ETS-4 possess titanosilicate bridging units where the titanium (Ti2) is situated in the mirror plane (0, 0, K) and it has 50% occupancy. It is coordinated by O5 (x, y, K) and O7 (0, 0, z).…”

“…23 For structural determination and elucidation of the positions of the Zn 2+ ions, single crystals of ETS-4 have been prepared. 24 The source of natural clinoptilolite (CPT) was the deposit of Beli plast, Kardzhali, Bulgaria. The ion exchange was performed by immersing the as-synthesized ETS-4, STS and CPT in 1 M solutions of ZnCl 2 (Aldrich) for 3 days at 90 uC (30 days at 100 uC for CPT).…”

Enhancing Size-Selective Adsorption of CO2/CH4 on ETS-4 via Ion-Exchange Coupled with Thermal Treatment

“…All computational simulations were performed using Materials Studio (Accelrys Inc.) software. The structures of the different samples were modeled separately according to the structural parameters reported in the literature (see Table S3), , calculated using a 2 × 2 × 2 supercell, and the adsorption on different samples was calculated by the grand canonical Monte Carlo (GCMC) and configuration deviation methods under the periodic boundary conditions. Energy minimization and geometric optimization calculations were performed by the Forcite module.…”

“…Specifically, ETS-4 has a framework structure composed of TiO 6 octahedra (TiO 5 semi-octahedra) and SiO 4 tetrahedra. The five-coordinated Ti of the TiO 6 octahedra leads to a charge of −2 e , which will be balanced by the extraframework metal cations. − In the topological structure, it forms a 12-member ring (12MR) along the c -axis and 6MR and 8MR along the b -axis. , However, the 12MR, originally having the largest pore size, can be blocked in the c -axis direction. In addition, the pore size of the 6MR is relatively small, restricting the diffusion of guest molecules.…”