Highly Distorted Antimony(III) Chloride [Sb2Cl8]2− Dimers for Near‐Infrared Luminescence up to 1070 nm

Zero‐dimensional (0D) hybrid metal halides with unique compositional and structural tunability appear as an emerging class of luminescent materials, but near‐infrared (NIR) emitters therein are largely unexplored to date. This study presents three novel 0D hybrid antimony chlorines with edge‐sharing [Sb2Cl8]2− dimers, showing unusual room‐temperature broadband NIR emission with the maximum emission wavelength up to 1070 nm. Photoluminescence studies and density functional theory calculation demonstrate that the emissions originate from the highly localized excitons, and that the confined [Sb2Cl8]2− dimers in these structures show low symmetry and a large degree of structural freedom. These hybrid antimony chlorines with [Sb2Cl8]2− dimers expand the range of new NIR materials in 0D metal halides. Three zero‐dimensional hybrid antimony chlorines show unusual room‐temperature near‐infrared (NIR) emissions. The maximum emission peak reaches 1070 nm for (C16H36P)SbCl4. Photoluminescence studies and density functional theory analysis suggest that the NIR luminescence originates from the highly localized self‐trapped excitons that are confined in edge‐shared [Sb2Cl8]2− dimers in the structures.