UPRM-5 is a new titanium silicate prepared via templated hydrothermal synthesis. It exhibits flexible framework characteristics of previous titanium silicates, but with unique textural and adsorption properties. However, XRD and MAS NMR results have suggested that the UPRM-5 structure could still be described via stacking of faulted ETS-4 titanium silicate polymorphs. In this study, several pure polymorphs were used to simulate faulting along a- and c-directions. At the end, it was found that a combination of two particular orthorhombic polymorphs via a superposition process along the c-direction and performing simulations with DIFFaX along the a-direction with faulting probabilities of 10 and 90 %, respectively, was suitable to describe the structure of the titanium silicate. The polymorph stacking combination was also employed for refinement of the structure.

Determination of the framework structure of a UPRM-5 type titanium silicate with simulations based on faulted ETS-4 polymorphs

243rd National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.