Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study

Abstract

The formation of two-component molecular cocrystals can lead to the tunable excited state intramolecular proton transfer (ESIPT) process and emission, as first confirmed by both experimental and computational studies.

Organic Cocrystals: Beyond Electrical Conductivities and Field‐Effect Transistors (FETs)

“…Hydrogen bonds are stable and can present good orientation to help predict the structural consequences much more easily . π–π interactions are also common interactions in organic cocrystals (Figure a), which can be formed between π‐donors, such as acene‐based derivatives and porphyrins, and π‐accepting molecules, such as fullerenes . Recently, cocrystals with halogen bonds were reported.…”

“…Remarkably, Cui et al . experimentally and computationally illustrated how the formation of two‐component crystals can tune and control the solid‐state emission via changing the intermolecular interactions and aggregation structures.…”

Organic Cocrystals: Beyond Electrical Conductivities and Field‐Effect Transistors (FETs)

“…Hydrogen bonds are stable and can present good orientation to help predict the structural consequences much more easily. [1,37,42,43] [1,37,42,43] …”

“…[41] p-p interactions are also common interactions in organic cocrystals (Figure 1a), which can be formed between p-donors,s uch as acene-based derivatives and porphyrins,a nd p-accepting molecules,s uch as fullerenes. [1,37,42,43]…”

“…Remarkably,C ui et al [42] experimentally and computationally illustrated how the formation of two-component crystals can tune and control the solid-state emission via changing the intermolecular interactions and aggregation structures.I ntroduction of suitable components generates excited-state potential energy profiles and then results in highly reduced or enhanced excited-state intramolecular proton transfer (ESIPT) emission. Although ag reat number of cocrystals with tunable emission have been reported (Figure 4), we still should apply the design and construction principles of multi-component cocrystals (with tunable molecular packing mode and orientation, intermolecular interactions and crystal symmetry) to investigate more novel mixed crystalline systems,c omprising two and more diverse organic molecules,a nd to further enrich the fluorescent material families.M ore significantly,i tw ill be ag reat challenge to make such solid fluorescent semiconductors applicable in optoelectronic devices,which needs more efforts from researchers.…”