Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. In an article, author is Soares Martins, Evandro Paulo, once mentioned the application of 94569-84-3, Name is 2-Bromo-5-fluorobenzaldehyde, molecular formula is C7H4BrFO, molecular weight is 203.01, MDL number is MFCD00142872, category is thiomorpholine. Now introduce a scientific discovery about this category, Electric Literature of 94569-84-3.
Herein, we describe the synthesis and characterizations of 2,4,6-tris(thiomorpholine)-1,3,5-triazine, 2,4,6-tris(piperazine)-1,3,5-triazine and their new Sb(III) and Bi(III) complexes. Characterizations of the ligands and complexes were carried out by elemental analysis, thermogravimetric analysis (TGA), and spectroscopic methods such as infrared (IR), H-1 and C-13 nuclear magnetic resonance (NMR), and single crystal X-ray. Theoretical vibrational frequencies and H-1 and C-13 NMR chemical shifts of free ligands as well as their Sb(III) and Bi(III) complexes have been calculated using density functional theory (DFT/B3LYP and M06-2X) methods. Our theoretical results matched the corresponding experimental data and helped with the interpretation of the IR and H-1 and C-13 NMR spectra. The antimicrobial in vitro studies were carried out against bacterial species Staphylococcus aureus and fungal species Candida albicans, Candida tropicalis, and Candida krusei by the microdilution method. The preliminary antimicrobial evaluations indicated that Sb(III) complexes showed moderate activities against all tested strains of bacterial and fungal with minimum inhibitory concentration (MIC) in range of 512-1024 mu g mL(-1). (C) 2019 Elsevier B.V. All rights reserved.
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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem