New Advances in Chemical Research in 2021. Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis,and research on the structure and performance of functional materials. 1719-19-3, Name is 2-Methyl-4-phenylbut-3-yn-2-ol, molecular formula is C11H12O, belongs to isothiazole compound. In a document, author is Zhang, Xinhao, introduce the new discover, HPLC of Formula: https://www.ambeed.com/products/1719-19-3.html.
A series of D-A novel star-shaped molecules with 2,4,6-triphenyl-1,3,5-triazine (TPTA) as core, diketopyrrolo[3,4-c] pyrrole (DPP) derivatives as arms, and triphenylamine (TPA) derivatives as end groups have been systematically investigated for organic solar cells (OSCs) applications. The electronic, optical, and charge transport properties were studied using density functional theory (DFT) and time-dependent DFT (TD-DFT) approaches. The parameters such as energetic driving force Delta EL-L, adiabatic ionization potential AIP, and adiabatic electron affinity AEA were also calculated at the same level. The calculated results show that the introduction of different groups to the side of DPP backbones in the star-shaped molecules can tune the frontier molecular orbitals (FMOs) energy of the designed molecules. The designed molecules can provide match well with those of typical acceptors PCBM ([6,6]-phenyl-C61-butyric acid methyl ester) and PC71BM ([6,6]-phenyl-C71-butyric acid methyl ester). Additionally, the absorption wavelengths of the designed molecules show bathochromic shifts compared with that of the original molecule, respectively. The introduction of different groups can extend the absorption spectrum toward longer wavelengths, which is beneficial to harvest more sunlight. The calculated reorganization energies suggest that the designed molecules are expected to be the promising candidates for ambipolar charge transportmaterials except molecule with benzo[c]isothiazole group can be used as hole and electron transport material. Moreover, the different substituent groups do not significantly affect the stability of the designed molecules.
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. Interested yet? Keep reading other articles of 1719-19-3, you can contact me at any time and look forward to more communication. HPLC of Formula: https://www.ambeed.com/products/1719-19-3.html.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com