Recently I am researching about ACTIVATED DELAYED FLUORESCENCE; LIGHT-EMITTING-DIODES; MOLECULAR-ORBITAL METHODS; BIPOLAR HOST MATERIALS; HIGH-EFFICIENCY; BLUE ELECTROPHOSPHORESCENCE; INTERMOLECULAR INTERACTIONS; DEGRADATION MECHANISMS; ELECTRONIC-STRUCTURE; THEORETICAL INSIGHT, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21403037]; National Research Foundation of Korea (NRF) – Ministry of Education, Science, and TechnologyMinistry of Education, Science and Technology, Republic of KoreaNational Research Foundation of Korea [2015R1D1A1A01061487]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Li, HF; Hong, MK; Scarpaci, A; He, XY; Risko, C; Sears, JS; Barlow, S; Winget, P; Marder, SR; Kim, D; Bredas, JL. The CAS is 92-86-4. Through research, I have a further understanding and discovery of 4,4′-Dibromobiphenyl. COA of Formula: C12H8Br2
Aryl sulfones and phosphine oxides are widely used as molecular building blocks for host materials in the emissive layers of organic light-emitting diodes. In this context, the chemical stability of such molecules in the triplet state is of paramount concern to long-term device performance. Here, we explore the triplet excited-state (T-1) chemical stabilities of aryl sulfonyl and aryl phosphoryl molecules by means of UV absorption spectroscopy and density functional theory calculations. Both the sulfur-carbon bonds of the aryl sulfonyl molecules and the phosphorus-carbon bonds of aryl phosphoryl derivatives are significantly more vulnerable to dissociation in the T-1 state when compared to the ground (S-0) state. Although the vertical S-0 -> T-1 transitions correspond to nonbonding -> pi-orbital transitions, geometry relaxations in the T-1 state lead to sigma-sigma* character over the respective sulfur-carbon or phosphorus carbon bond, a result of significant electronic state mixing, which facilitates bond dissociation. Both the activation energy for bond dissociation and the bond dissociation energy in the T-1 state are found to vary linearly with the adiabatic T-1-state energy. Specifically, as T-1 becomes more energetically stable, the activation energy becomes larger, and dissociation becomes less likely, that is, more endothermic or less exothermic. While substitutions of electron-donating or -accepting units onto the aryl sulfones and aryl phosphine oxides have only marginal influence on the dissociation reactions, extension of the pi-conjugation of the aryl groups leads to a significant reduction in the triplet energy and a considerable enhancement in the Ty-state chemical stabilities.
COA of Formula: C12H8Br2. About 4,4′-Dibromobiphenyl, If you have any questions, you can contact Li, HF; Hong, MK; Scarpaci, A; He, XY; Risko, C; Sears, JS; Barlow, S; Winget, P; Marder, SR; Kim, D; Bredas, JL or concate me.
Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem