Structural study, intermolecular interactions in view of X-ray and Hirshfeld surface analysis, DSC characterization, and electrical properties of bis-(4-benzylpyridinium) tetrabromozincate

Neutral 1D Perovskite‐Type ABX3 Phase Transition Material with a Narrowband Emission and Semiconductor Property

“…[21] For example, the spike marked with a red circle extends from (d i , d e ) = (0.9, 1.7) to (0.8, 1.5) during the cooling process, this spike is inferred from Table S2 and S3 to be related to OÀ H…Br hydrogen bond. [22] Combined with the previous structural analysis, it can be inferred that the change of hydrogen bond is also an important factor in the occurrence of phase transition.…”

“…Obviously, the ratios of H…Br interactions occupy the 43.5% of the total hirshfeld surface in 1‐LTP , but 1‐RTP is 36.8%, this phenomenon indicates an increase in the hydrogen bond interaction among the inorganic chain and organic cation [21] . For example, the spike marked with a red circle extends from (d i , d e )=(0.9, 1.7) to (0.8, 1.5) during the cooling process, this spike is inferred from Table S2 and S3 to be related to O−H…Br hydrogen bond [22] . Combined with the previous structural analysis, it can be inferred that the change of hydrogen bond is also an important factor in the occurrence of phase transition.…”

Organic Single-Component Enantiomers with High Phase Transition Temperatures and Dielectric Switching Properties

“…Hirshfeld surface analysis, which analyzes the surface of molecular crystal structures through the identification of molecules represented by various models, as well as the identification of close contacts and the molecules as “organic wholes”, has become a relatively convenient analytical tool at present. − Since 1-R and 1-S are packed in a zero-dimensional structure, we use the Hirshfeld surface to further explore the type and proportion of hydrogen bonds connected. The blue and red regions on the Hirshfeld surface area represent long and short interactions, respectively.…”