Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 3147-75-9, Name is 2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol, molecular formula is C20H25N3O, belongs to naphthyridines compound. In a document, author is Sutradhar, Tanushree, introduce the new discover, SDS of cas: 3147-75-9.
Role of Electron-Donating and Electron-Withdrawing Groups in Tuning the Optoelectronic Properties of Difluoroboron-Napthyridine Analogues
Five napthyridine-based fluorine boron (BF2-napthyridine) conjugated compounds have been theoretically designed, and subsequently, their photophysical properties are investigated. The influence of electron-donating and electron-withdrawing groups attached with the N(boolean AND)C(boolean AND)0 moiety of BF2-napthyridine molecule has been interpreted. The optoelectronic properties, including absorption spectra and emission spectra of the BF2-napthyridine derivatives are studied using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) based methods. Different characteristics, such as HOMO-LUMO gap, molecular orbital density, ionization potential, electron affinity, and reorganization energy for hole and electron, are calculated. All these molecules show excellent pi-electron delocalization. TD-DFT results illustrate that the amine-substituted BF2-napthyridine derivative has the highest absorption and emission maxima; it also shows a maximum Stoke shift. These results are well-correlated with the structural parameters and calculated HOMO-LUMO gap. Moreover, it is found that introduction of an electron-donating group into the BF2-napthyridine complex improves the hole transport properties and provides useful clues in designing new materials for organic light emitting diodes (OLED). As a whole, this work demonstrates that electron-donating and electron-withdrawing groups in BF2 derivatives can extend their effectiveness toward designing of OLED materials, vitro cellular studies, ex vivo assays, and in vivo imaging agents.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 3147-75-9. SDS of cas: 3147-75-9.
Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem