Citation
Abbas, Mujahad, Abbas and Komal, Rizwan and Nasir, Rasool and Muhammad Ali, Hashmi and Gulraiz, Ahmad and Umer, Rashid
(2020)
Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties.
Chiang Mai Journal of Science, 47 (6).
1255 - 1264.
ISSN 0125-2526
Abstract
Novel thiophene based 1,3,4-oxadiazoles were synthesized via Suzuki cross-coupling of 2-(5-bromothiphen-2-yl)-5-phenyl-1,3,4-oxadiazole with various substituted aryl-boronic acids in significant yields (58-78%). Density functional theory (DFT) investigations were accomplised on novel oxadiazoles (5a-5j) to explore their structural properties. Reactivity-descriptors and frontier molecular orbitals (FMOs) studies were carried out by using PBE0-D3BJ/def2-TZVP level of theory to determine structural properties, reactivity and reacting sites of synthesized molecules (5a-5j).
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Additional Metadata
| Item Type: | Article |
|---|---|
| Divisions: | Institute of Advanced Technology |
| Publisher: | Chiang Mai University |
| Keywords: | Hydrazide; Oxadiazole; Non-linear; Density functional; Optical; Computational |
| Depositing User: | Ms. Zaimah Saiful Yazan |
| Date Deposited: | 07 May 2024 06:48 |
| Last Modified: | 07 May 2024 06:48 |
| URI: | http://psasir.upm.edu.my/id/eprint/87045 |
| Statistic Details: | View Download Statistic |
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