| Autor: |
Haifa Alharbi, Omar Alsalmi, Adel I. Alalawy, Ahmad Fawzi Qarah, Abdulrahman A. Alsimaree, Alaa M. Alqahtani, Amerah Alsoliemy, Nashwa M. El-Metwaly |
| Jazyk: |
angličtina |
| Rok vydání: |
2024 |
| Předmět: |
|
| Zdroj: |
Journal of Saudi Chemical Society, Vol 28, Iss 1, Pp 101800- (2024) |
| Druh dokumentu: |
article |
| ISSN: |
1319-6103 |
| DOI: |
10.1016/j.jscs.2023.101800 |
| Popis: |
Eight thiazolyl-thienyl and thiazolyl-thiadiazolyl ketones 5a-d and 6a-d were synthesized based on the reaction of 5-(2-bromoacetyl)-4-methyl-2-(methylamino)thiazole (2) and/or N-(4-chlorophenyl)-2-(4-methyl-2-(methylamino)thiazol-5-yl)-2-oxoacetohydrazonoyl bromide (3) with four various thiocarbamoyl compounds 4a-d. The synthesized thiazolyl-thienyl and thiazolyl-thiadiazolyl ketones were optimized using DFT approach offered analogous models in which the thiazolyl, thienyl and thiazolyl nuclei have a planar structure. The HOMO and LUMO of studied hybrids have been consisted mainly of the π- and π*-orbitals of the whole molecule, respectively. Hence, the thiazolyl-thiadiazolyl ketones revealed smaller energy gap (ΔEH-L) than the thiazolyl-thienyl derivatives and may be sorted as 5c |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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