Raw data of the publication "Controlling optoelectronic properties and aggregation of planar dipoles through symmetry-preserving modifications"

Perylene monoimides exemplify these features, and here we systematically explore strategies to tune their dipole-like distribution while preserving symmetry. Correlating optical properties in solution and solid state with electron-donating and/or -withdrawing groups at the ortho positions reveals how subtle modifications control the intermolecular interactions and therefore, aggregation and optoelectronics.

Single-crystal X-ray diffraction further uncovers distinct stacking modes, highlighting the decisive role of molecular design in tailoring functionality for diverse applications. The dataset contains the raw data in pdf of the High resolution Mass Spectrometry measurements, the original files provided by the UV-Vis absorption, fluorescence and electrochemistry apparatus as well as the FID from the NMR