Crystal structures of isotypic poly[bis(benzimidazolium) [tetra-μ-iodido-stannate(II)]] and poly[bis(5,6-difluorobenzimidazolium) [tetra-μ-iodido-stannate(II)]]

Abstract

The isostructural title compounds, {(C7H7N2)2[SnI4]}n, (1), and {(C7H5F2N2)2[SnI4]}n, (2), show a layered perovskite-type structure composed of anionic {[SnI4]2−}nsheets parallel to (100), which are decorated on both sides with templating benzimidazolium or 5,6-difluorobenzimidazolium cations, respectively. These planar organic heterocycles mainly form N—H...I hydrogen bonds to the terminal I atoms of the corner-sharing [SnI6] octahedra (point group symmetry 2) from the inorganic layer, but not to the bridging ones. This is in contrast to most of the reported structures of related compounds where ammonium cations are involved. Here hydrogen bonding to both types of iodine atoms and thereby a distortion of the inorganic layers to various extents is observed. For (1) and (2), all Sn—I—Sn angles are linear and no out-of-plane distortions of the inorganic layers occur, a fact of relevance in view of the material properties. The arrangement of the aromatic cations is mainly determined through the direction of the N—H...I hydrogen bonds. The coherence between organic bilayers along [100] is mainly achieved through van der Waals interactions.

Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites

“…The 1D "perovskitoids" 44 (which refers to exclusively facesharing ABX 3 compounds) (hep)PbBr 3 and (hex)PbBr 3 belong to the common CsNiBr 3 structure-type, 45 with face-sharing polymeric [PbBr 3 ]chains ( Figure 2). [46][47][48][49][50][51][52][53][54] Usually, a bulky cationic template, which is capable of separating the inorganic sections far apart, will lead to the formation of such low dimensional structure type. 44,55 (hep)PbBr 3 and (hex)PbBr 3 crystallize in non-centrosymmetric monoclinic space groups Cc and P2 1 , respectively.…”

New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH2)3)(CH3NH3)nPbnI3n+1: Structure, Properties, and Photovoltaic Performance

“…What effectively determines this crystallographic cut is the size and shape of the spacer cation. Cations employed for this purpose to date include, but not limited to, ammonium, 1,6,[12][13][14][15] amidinium, [16][17] imidazolium 18 and phosphonium 19 ions. Among the <100> perovskites, the Ruddlesden-Popper (RP) perovskites, [20][21] are by far the most common structural type with less common types being the Dion-Jacobson (DJ), [22][23] and Aurivillius (AV) [24][25][26] phases both of which finding paradigms only in oxide perovskite families.…”

Lead and HTM Free Stable Two‐Dimensional Tin Perovskites with Suitable Band Gap for Solar Cell Applications

“…Representations of the crystal structures of the two‐dimensional perovskites Bn 2 SnI 4 and BdiSnI 4 are shown in Figure . Single crystals/powders were obtained by reacting tin iodide with the corresponding organic salt in concentrated hydroiodic acid as reported previously . It is worth mentioning, that structural analogues with Pb could be obtained in a similar way using PbI 2 .…”