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...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Published: |
Chiang Mai University
2020
|
| Online Access: | http://psasir.upm.edu.my/id/eprint/87045/ |
| _version_ | 1848860352029130752 |
|---|---|
| author | Abbas, Mujahad, Abbas Komal, Rizwan Nasir, Rasool Muhammad Ali, Hashmi Gulraiz, Ahmad Umer, Rashid |
| author_facet | Abbas, Mujahad, Abbas Komal, Rizwan Nasir, Rasool Muhammad Ali, Hashmi Gulraiz, Ahmad Umer, Rashid |
| author_sort | Abbas, Mujahad, Abbas |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | 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). |
| first_indexed | 2025-11-15T12:43:52Z |
| format | Article |
| id | upm-87045 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-15T12:43:52Z |
| publishDate | 2020 |
| publisher | Chiang Mai University |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-870452024-05-07T06:48:08Z http://psasir.upm.edu.my/id/eprint/87045/ Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties Abbas, Mujahad, Abbas Komal, Rizwan Nasir, Rasool Muhammad Ali, Hashmi Gulraiz, Ahmad Umer, Rashid 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). Chiang Mai University 2020-11 Article PeerReviewed 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 https://epg.science.cmu.ac.th/ejournal/journal-Issue.php?vid=89 |
| spellingShingle | Abbas, Mujahad, Abbas Komal, Rizwan Nasir, Rasool Muhammad Ali, Hashmi Gulraiz, Ahmad Umer, Rashid Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties |
| title | Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties |
| title_full | Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties |
| title_fullStr | Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties |
| title_full_unstemmed | Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties |
| title_short | Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties |
| title_sort | palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties |
| url | http://psasir.upm.edu.my/id/eprint/87045/ http://psasir.upm.edu.my/id/eprint/87045/ |