The influence of π–π stacking on the room temperature phosphorescence of phenothiazine 5,5-dioxide derivatives

Abstract

The control of molecular packing in aggregated state at the molecular design stage is significant but challenging. Herein, a strategy is provided to regulate the molecular packing as well as...

Suppression of nonradiative transitions of triplet excitonsviaa fused/non-fused strategy for realizing efficient room-temperature phosphorescence

“…For the FBPSP dimer, the frontier molecular orbitals completely distribute to the entire dimer, while those of the BPSP dimer are only located on one molecule, indicating the much stronger p-p interaction for FBPSP. [70][71][72][73] The T 1 levels of the FBPSP dimer and the BPSP dimer are 1.95 and 2.04 eV, respectively, which are lower than the corresponding T 1 levels of FBPSP and BPSP monomers, and consistent with the red-shifted phosphorescence peaks of their crystals relative to doped films. Furthermore, the T 1 energy of the FBPSP dimer is lower than that of the BPSP dimer, which is opposite to their monomers but coincide with the experimental results of their crystals.…”

Unveiling One‐to‐One Correspondence Between Excited Triplet States and Determinate Interactions by Temperature‐Controllable Blue‐Green‐Yellow Afterglow

“…Among them, Cs−C 5 OH exhibited the varied afterglow color (blue‐green‐yellow) with the increased temperature (Figure 1c). [9a–f] It was mainly related to molecular aggregates with hierarchical architectures, as proved by the in situ single crystal diffraction at variable temperatures and theoretical calculations. Moreover, the temperature‐controllable allochroic phosphorescence can be further improved by deuteration process of hydroxy moieties.…”

“…Prompted by the above considerations and based on our continuous research on the Molecular Uniting Set Identified Characteristic (MUSIC) of organic and polymeric opto‐electronic materials, [1b, 9] herein, VDW forces, π–π interactions, and hydrogen bonding were loaded into molecular aggregates of phenothiazine derivatives. Accordingly, 10H‐phenothiazine‐5,5‐dioxide (Cs) was employed as phosphorescence core (π moiety) to form π–π interactions [9a–f] . Alkyl chains with different lengths were attached to adjust molecular packing and provide VDW interactions, for instance, C−H⋅⋅⋅X (X=O, S, N and π) interactions, and hydroxyl group as the ending group for hydrogen bonding.…”

Modulating room temperature phosphorescence through intermolecular halogen bonding

“…1b). 49,50 The crystal lifetimes of the corresponding luminogens are 208.53 ms (MPh-Cl), 10.73 ms (MPh-Br), and 2.60 ms (MPh-I). Single crystal analyses clearly demonstrate that compact molecular stacking is beneficial in producing longer RTP lifetime and higher phosphorescence QY.…”