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Ordered Cationic Mixing in a 1D Organic-Inorganic Hybrid
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DOI：10.1021/acs.chemmater.4c02364.png)
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Abstract
En 中文
Hybrid metal halides are a remarkably dynamic family of materials that offer a flexible platform for exploring the novel crystal chemistry that emerges at the intersection of organic and inorganic solids. Herein, we report the discovery of a hybrid that contains two molecules effectively adopting isostructural geometry, (1-NA)PbI3 and (1-MQ)PbI3, and our attempts to create solid solutions of the two beyond the 1:1 ratio. Single-crystal X-ray diffraction, combined with solid-state NMR measurements, clearly show that despite having nearly identical steric geometry, the only mixed phase attained was the composition (1-MQ)(1-NA)Pb2I6, which exhibits a high degree of order between the two molecules. We propose that this ordering is primarily driven by local molecular dipoles, which ultimately creates a band structure in the blended phase that is highly characteristic of the end members, with little sign of rehybridization between the organic or inorganic components.
Keywords:
STATE NMR-SPECTROSCOPY
DIPOLAR INTERACTIONS
PEROVSKITES
SIMULATION
DYNAMICS
Journal
IF:
7
Papers:
2.8W
Citations:
11.4W