Mechanofluorochromic behaviors and latent fingerprint detection of triphenylamine-based compounds with mono-/bis-BF fluorophores.

To better understand the relationship between molecular structure of the mono-/bis-BF-core compounds and mechanofluoroboron behaviors, two pyridine-based difluoroboron compounds with triphenylamine group (TPA-ts-BF and TPA-ts-2BF) were designed and successfully synthesized, which TPA-ts-BF including a BF fluorophore and TPA-ts-2BF containing the bisBF fluorophores. Based on the photophysical properties measurements results, it was found that TPA-ts-2BF had more excellent intramolecular charge transfer characteristics than that of TPA-ts-BF, and exhibited significant aggregation-induced emission activity, however, TPA-ts-BF displayed typical aggregation-caused quenching phenomenon. Meanwhile, the emission spectrum of the solid powders of TPA-ts-2BF was red-shifted 52 nm after grinding, that of TPA-ts-BF was red-shifted 46 nm, which was resulted from crystalline state switching to amorphous state.

Mechanofluorochromic behaviors and data security protection properties of salicylaldimine-based difluoroboron complexes with different aryl substituents.

To further explore the relationship between aryl substituents and mechanofluorochromic (MFC) behaviors, four salicylaldimine-based difluoroboron complexes (ts-Ph BF, ts-Ph-NA BF, ts-2NA BF, and ts-triphenylamine [TPA] BF), including aromatic substituents with different steric hindrance effects, were designed and successfully synthesized. Four complexes with twisted molecular conformation displayed intramolecular charge transfer and aggregation-induced emission properties. Under external mechanical stimuli, the as-synthesized powders of ts-Ph BF, ts-Ph-NA BF, and ts-TPA BF exhibited redshift fluorescence emission behaviors, and ts-Ph BF and ts-TPA BF could be recovered to original shifts by fuming, but ts-Ph-NA BF displayed irreversible switching.

Mechanofluorochromic behaviours of functionalized carbazole-based difluoroboron compounds with different aryl substituents moieties.

To better understand the relationship between molecular structure and mechanofluorochromic characteristics, three carbazole-based N^O-chelated difluoroboron compounds (Cz-S-BF , Cz-PhNp-S-BF , and Cz-BNp-S-BF ) with different aryl substituents moieties were designed and synthesized. The mechanofluorochromic behaviours of Cz-S-BF (luminescence from bluish-green to yellowish-green, emission from 504 to 535 nm) without aryl substitution and Cz-PhNp-S-BF (luminescence from green and yellow, emission from 521 to 557 nm) with a phenyl-naphthalene group underwent reversible conversion using the grinding-fuming process. For Cz-BNp-S-BF this was not apparent due to the well coplanarity of the binaphthalene moiety.

Investigation of Petroleum Coke Gasification with CO/HO Mixtures and S/N Removal Mechanism via ReaxFF MD Simulation.

The removal of environmentally harmful S/N is crucial for utilization of high-S petroleum coke (petcoke) as fuels. Gasification of petcoke enables enhanced desulfurization and denitrification efficiency. Herein, petcoke gasification with the mixture of two effective gasifiers (CO and HO) was simulated via reactive force field molecular dynamics (ReaxFF MD).