Substitution induced tunable emission of an airplane-like pyrene-based fluorophore: First-principles study

Substituent effects on the intermolecular interactions and emission behaviors in pyrene-based mechanochromic luminogens

“…To gain deeper insight into the opposite mechanochromism of 3b , the intuitive geometric comparisons between S 0 and S 1 equilibrium configurations were plotted for the monomer. The root mean square displacement (RMSD) 50 with the expression , was determined to quantitatively characterize the structural modifications between the two states. The configurations seem to be coincident, with the RMSD value of 0.038 Å in the pristine state, indicating hampered molecular movements in the crystal.…”

“…To gain deeper insight into the opposite mechanochromism of 3b, the intuitive geometric comparisons between S 0 and S 1 equilibrium configurations were plotted for the monomer. The root mean square displacement (RMSD) 50 with the expression…”

Achieving Simultaneously Ultrahigh Brightness, Extremely Low Efficiency Roll‐Off and Ultralong Lifetime of Blue Fluorescent OLEDs by Using Donor–Acceptor‐Type 5,9‐Diarylamine Functionalized Pyrenes

“…[15,16] Moreover, electronic interaction and charge transfer efficiencies in DAtype PAHs emitters could be precisely controlled to obtain desired emission color by selecting appropriate the D/A units. Pyrene as a member of PAHs family endowed with durable electronic properties, a series of DA-type emitters based on pyrene were developed, one type containing pyrene unit considered as an acceptor and the linked rich-electron units as donors, [17,18] the other types employing pyrene as an central core and functionalized the core with acceptors and donors, [19,20] particularly for the acceptors and the donors substituted at the 1,3-and/or 5,9-positions, respectively, an available synthetic strategy for the construction of DA-type pyrene core emitters developed by Hu group, [21,22] functionalized at 5,9-positions of pyrene core apt to obtain twisted structures and propitious to inhibit intermolecular interaction, [23] thus DA-type 1,3,5,9-substituted pyrenes were considered to have a great potential in building high-efficiency and stable blue materials and OLEDs.…”

Regulable high-contrast mechanofluorochromic enhancement behaviour based on substituent effects

“…A significant inter-layer slippage further occurred during the grinding process, and the fluorescence efficiency is greatly improved based on the weakening of the excimer emission. 20 In view of these explorations, the compound 1-BuPyBP without a mechanical response may be ascribed to the dense molecular arrangement and intermolecular interactions. Moreover, almost identical PXRD results (Fig.…”