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Observing a temperature induced phase transition of Cu(ta)₂, a MOF, with XtaLAB Synergy-ED

AppNote SMX041: Observing a temperature induced phase transition of Cu(ta)₂, a MOF, with XtaLAB Synergy-ED

Background

Metal-Organic Frameworks (MOFs) present challenges in structural determination due to their porous structure. Disordered solvent in the pores gives rise to an increase in background while also not contributing to Bragg diffraction. This represents a challenging signal-to-noise situation for single-crystal structure determination. 

With the emergence of 3D ED/MicroED and integrated electron diffractometers such as the XtaLAB Synergy-ED, MOF samples do not need to be so large and samples typically used for PXRD are generally also suitable for single-crystal analysis with 3D ED/MicroED. This significantly extends the classes of framework materials amenable to single-crystal structure determination without involved and often unsuccessful crystallization protocols. Studying these samples at different temperatures is also desirable to understand phase transitions and their effects on pore shape and volume. 

Here, we sought to confirm the α to β phase transition of Cu(ta)₂ with single-crystal diffraction on the same grain using 3D ED/microED and compare our results to that of Grzywa et al.

Observing a temperature induced phase transition of Cu(ta)₂, a MOF) with XtaLAB Synergy-ED

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