Related Products of 10297-73-1, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 10297-73-1, Name is 4′-(Methylsulfonyl)acetophenone, SMILES is C1=CC(=CC=C1[S](C)(=O)=O)C(C)=O, belongs to thiazines compound. In a article, author is Rodriguez-Serrano, Angela, introduce new discover of the category.
Protonation-State-Driven Photophysics in Phenothiazinium Dyes: Intersystem Crossing and Singlet-Oxygen Production
The impact of altering the solvent pH value on the photodynamic activity of thionine has been studied computationally by means of density functional theory and multi-reference interaction methods. To this end, we have investigated the electronic structure of the ground and excited states of diprotonated (TH22+) and neutral imine (T) forms of thionine (TH+). It is well known experimentally that the T-1 state of TH+ undergoes acid-base equilibrium reactions resulting in a pronounced pH effect for the efficiency of singlet-oxygen (O-1(2)) production. Our results show that the energy-transfer reactions from the T-1 state of TH22+ and T to O-3(2) correspond to reversible equilibrium processes, whereas in TH+ this process is very exothermic in a vacuum (-0.66 eV) and in aqueous solution (-0.49 eV). These facts explain the experimental observation of a much smaller efficiency of O-1(2) production for TH22+ than for TH+. Moreover, we found that the pH value significantly effected the intersystem crossing (ISC) kinetics impacting the concentration of triplet-state species available for energy transfer. In very acidic aqueous solution (pH < 2) where TH22+ is the prevailing species, the ISC proceeds with a rate constant of approximate to 10(8) s(-1). In a basic medium where T is the dominant species, ISC decay occurs by means of a thermally activated channel (approximate to 10(8)s(-1)) which competes with fluorescence (5.32 x 10(7) s(-1)). According to these results, maximum ISC efficiency is expected for intermediate acidic pH values (TH+, approximate to 10(9) s(-1)). Related Products of 10297-73-1, One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 10297-73-1.
Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem