Role of halogen effects and cyclic imide groups in constructing red and near-infrared room temperature phosphorescence molecules: theoretical perspective and molecular design

Abstract

Organic room temperature phosphorescence (RTP) materials have been widely concerned as long lifetimes luminescence materials, the improvement of their efficiency has always been the focus of research especially for red...

Achieving Bright and Long‐Lived Aqueous Room‐Temperature Phosphorescence of Carbon Nitrogen Dots Through In Situ Host–Guest Binding

“…The elliptic δ g inter clearly demonstrates the occurrence of hydrogen bonding interactions such as N–H∙··O, C═O···H, C–H···O, and C–O–H∙··O between the two models of CNDs@CA and H 2 O. [ 47 ] Additionally, the binding energies between CA (CA enol and CA keto ), CNDs, and H 2 O were quantitatively determined through density functional theory (DFT) calculations to investigate the strength of hydrogen bonding interactions. The significantly higher binding energy observed in the intermolecular interactions between CNDs@CA and H 2 O suggests a more robust hydrogen bonding interaction between these two molecules (Table S9, Supporting Information).…”

Theoretical exploration of the bromine substitution effect and hydrostatic pressure responsive mechanism for room temperature phosphorescence

“…In addition, the internal luminescence mechanism of high lying triplet state emission with anti-Kasha behavior was illustrated and in-depth research was conducted on the photophysical properties of red and near-infrared RTP molecules; a wise molecular design strategy for achieving efficient and long-emission of RTP molecules was proposed. [35][36][37][38][39] Furthermore, over the years, the lifetime of RTP materials has been extended from milliseconds to seconds or even minutes. [40][41][42][43][44] Regulating the lifetime of RTP materials could expand their applications especially in the multilevel information encryption field.…”