A Zero‐Dimensional Organic Seesaw‐Shaped Tin Bromide with Highly Efficient Strongly Stokes‐Shifted Deep‐Red Emission

Abstract The synthesis and characterization is reported of (C 9 NH 20 ) 2 SnBr 4 , a novel organic metal halide hybrid with a zero‐dimensional (0D) structure, in which individual seesaw‐shaped tin (II) bromide anions (SnBr 4 2− ) are co‐crystallized with 1‐butyl‐1‐methylpyrrolidinium cations (C 9 NH 20 + ). Upon photoexcitation, the bulk crystals exhibit a highly efficient broadband deep‐red emission peaked at 695 nm, with a large Stokes shift of 332 nm and a high quantum efficiency of around 46 %. The unique photophysical properties of this hybrid material are attributed to two major factors: 1) the 0D structure allowing the bulk crystals to exhibit the intrinsic properties of individual SnBr 4 2− species, and 2) the seesaw structure enabling a pronounced excited state structural deformation as confirmed by density functional theory (DFT) calculations.