Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, Safety of 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one, 73942-87-7, Name is 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one, SMILES is O=C1NC=CC2=CC(OC)=C(OC)C=C2C1, belongs to amides-buliding-blocks compound. In a document, author is Mondal, Manoj, introduce the new discover.
Understanding the physical nature behind experimental phenomena is rather significant to further optimize the performance of a material. Now, density functional theory (DFT) has become a well-accepted tool for unveiling the origin of physical/chemical properties of materials and designing new materials with desirable properties. Recently, two novel POXD-based (N-(5-phenyl-1,3,4-oxadiazol-2-yl)-diphenylphosphinic amide) iridium(iii) complexes 1 and 4 with different cyclometalated ligands showed significant performance differences. Herein, we employ DFT calculations to investigate the electronic structures, absorption and emission spectra, and charge transportation properties of iridium(iii) complexes 1 and 4. In comparison with 4, the good performance of 1 can be attributed to its favorable charge transport properties. Based on complex 1, two new iridium complexes (2 and 3) were theoretically designed by substituting phenyl rings with a tert-butyl group (-t-Bu) and methyl group (-CH3), respectively. The results clearly indicated that the -t-Bu and -CH3 groups enhance the hole and electron injection abilities and improve the charge balance. On the other hand, the designed complexes 2 and 3 also show a blue-shift in emission spectra with respect to complex 1. As a result, complexes 2 and 3 are expected to be promising phosphorescence emitters with good device performance.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 73942-87-7 is helpful to your research. Safety of 7,8-Dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one.
Reference:
Amide – Wikipedia,
,Amide – an overview | ScienceDirect Topics