In an article, author is Liu, Xiaodong, once mentioned the application of 2971-90-6, Computed Properties of C7H7Cl2NO, Name is Clopidol, molecular formula is C7H7Cl2NO, molecular weight is 192.04, MDL number is MFCD22123390, category is indole-building-block. Now introduce a scientific discovery about this category.
Competitive adsorption between sulfur- and nitrogen-containing compounds over NiMoS nanocluster: The correlations of electronegativity, morphology and molecular orbital with adsorption strength
Using combination of density functional theory calculation and dispersion corrections, we try to find the correlation between nature of nitrogen-containing compounds (indole, quinoline, carbazole and acridine) as well as their hydrodenitrogenation intermediates and the adsorption strength of them over multisite NiMoS nanocluster, and to utilize the correlation into the competitive adsorption between N-compounds and S-compounds. The competitiveness of aromatic compounds and HDT by-products are included. The results show the adsorption strength is not only dominant by the electronegativity but also influenced by the morphology of N-compounds and the lowest-unoccupied molecular orbitals of active sites. For multisite NiMoS, the influence of competitive adsorption decreases as Corner approximate to Mo-Edge > S-Edge; for certain N-compound series, almost all the adsorption strength is larger than that of corresponding S-compound. Except for the N-compounds themselves, the potential strong inhibitors should be the partial or fully saturated intermediates as well as ammonia. (C) 2020 Elsevier Ltd. All rights reserved.
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Reference:
Indole alkaloid derivatives as building blocks of natural products from?Bacillus thuringiensis?and?Bacillus velezensis?and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles