White-light generation from all-solution-processed OLEDs using a benzothiazole–salophen derivative reactive to the ESIPT process

Abstract

ESIPT for white-light generation from all-solution-processed OLEDs.

Theoretical insights into excited-state hydrogen bonding effects and intramolecular proton transfer (ESIPT) mechanism for BTS system

“…Other four transitions are shown in Table S1, ESI †. Our calculated first absorption peak (i.e., S 0 → S 1 ) for BTS is about 358 nm, which is consistent with experimental result (346 nm) 40 . For transitions S 0 → S 2 , S 0 → S 3 and S 0 → S 4 , it should be noted that the corresponding oscillator strengths are so small that they could be ignored during the photo-excitation behaviors.…”

“…6. Upon photoexcitation, the computed absorption peak for BTS is about 358 nm, which is close to previous experimental spectra peak 346 nm 40 . After fast relaxation, the computed fluorescence peak of BTS is about 405 nm, which is also consistent to experimental spectra peak 404 nm 40 .…”

“…Therefore, we just consider the excited-state intramolecular single proton transfer case. Since BTS owns too hydrogen bonds, it is important to clarify along which hydrogen bond BTS undergoes the ESIPT process, which is not demonstrated in previous work 40 . Thus, the potential energy curves have been scanned considering two different situations on the base of constrained optimizations in both S 0 and S 1 states (see Fig.…”

“…5) [66][67][68][69] . Herein, one thing worth mentioning www.nature.com/scientificreports www.nature.com/scientificreports/ is that Duarte and co-workers have scanned the potential energy curves via relaxed optimizations in previous work 40 . However, their simulation result (barrierless ESIPT) is questionable since two emission peaks have been observed in experimental phenomenon 40 .…”

Polarity‐Induced Excited‐State Intramolecular Proton Transfer (ESIPT) in a Pair of Supramolecular Isomeric Multifunctional Dynamic Metal–Organic Frameworks

“…[1][2][3][4] The most remarkable outcomeo fa nE SIPT-driven system is the broad,t unable, and dual emission, with al arge Stokes shift, that coversalarge part of the visible-light spectrum. [1][2][3] For theser easons, materials that exhibit the ESIPT phenomenon have been successfully utilized in different optoelectronic applications, for example, in solar concentrators, [5] UV stabilizers, [6] photopatterning, [7] opticalm emory devices, [8] fluorescencei maging, [9] white-light emitters, [10,11] and smarto pticalw riters. Upon excitation, thet wo tautomeric forms give rise to two broad peaks.…”