Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties
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...
| Published in: | Chiang Mai Journal of Science |
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| Main Author: | |
| Format: | Article |
| Language: | English |
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Chiang Mai University
2020
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85094585221&partnerID=40&md5=186beb88240ad7d428b46f45f9843228 |
| Summary: | 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). © 2020, Chiang Mai University. All rights reserved. |
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| ISSN: | 1252526 |