Journal
CRYSTAL GROWTH & DESIGN
Volume 21, Issue 2, Pages 770-778Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.cgd.0c01006
Keywords
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Funding
- Swiss National Science Foundation
- Croatian Science Foundation
- FNRS [PDR T. 0169.13, EQP U.N038.13, J.0164.17]
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The novel high-temperature polymorph of sodium imidazolate was discovered through mechanochemical reaction and thermal treatment, and characterized using various experimental techniques. It exhibits a porous structure suitable for gas sorption/separation and remains stable at room temperature.
The novel high-temperature polymorph of sodium imidazolate reported in this paper was discovered in the mechanochemical reaction of NaIm with NaBH4 and later prepared directly by thermal treatment of the room-temperature polymorph of NaIm. Solid-state NMR was used for initial elucidation of structural features; the crystal structure was determined by single-crystal X-ray diffraction, while the in situ HT-XRPD experiments utilizing synchrotron radiation have been performed in order to gain the insight into the structural evolution and thermal stability, in addition to differential thermal analysis and hot-stage microscopy measurements. Contrary to the RT polymorph that forms a dense and hypercoordinated structure without pores, the high-temperature polymorph of NaIm exhibits pores of 50 angstrom 3 that suggest possible application for gas sorption/separation. It is important to highlight that, once formed, the high-temperature polymorph of NaIm retains its structure and remains stable at room temperature.
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