posted on 2023-11-01, 19:40authored byHao-Wei Lin, Yang-Peng Lin, Dan-Dan Huang, Zhi-Hua Chen, Ying-Chen Peng, Ze-Ping Wang, Ke-Zhao Du, Xiao-Ying Huang
Here,
two isomeric ionic zero-dimensional indium bromide crystals
of α (1)/β (2)-[OPy][InBr4(Phen)] (OPy = N-octylpyridinium; Phen =
1,10-phenanthroline) have been isolated simply by changing the cooling
conditions in solvothermal syntheses. Structural comparisons indicate
their different supramolecular interactions, which can be confirmed
by Hirshfeld surface analyses. The crystal 2 has additional
hydrogen bonds and π–π interactions; as a result,
the more compact stacking of 2 could result in a 10-fold
higher photoluminescence (PL) quantum yield (PLQY) than that of 1. Density functional theory calculations confirm the electron
transition from the inorganic moiety to the organic ligand, which
provides a further understanding of the optical process. This work
provides a new idea for designing PL indium-based halides by understanding
the structure–PL relationship.