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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...

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Main Authors: Abbas, Mujahad, Abbas, Komal, Rizwan, Nasir, Rasool, Muhammad Ali, Hashmi, Gulraiz, Ahmad, Umer, Rashid
Format: Article
Published: Chiang Mai University 2020
Online Access:http://psasir.upm.edu.my/id/eprint/87045/
https://epg.science.cmu.ac.th/ejournal/journal-Issue.php?vid=89
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spelling my.upm.eprints.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
institution Universiti Putra Malaysia
building UPM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Putra Malaysia
content_source UPM Institutional Repository
url_provider http://psasir.upm.edu.my/
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).
format Article
author Abbas, Mujahad, Abbas
Komal, Rizwan
Nasir, Rasool
Muhammad Ali, Hashmi
Gulraiz, Ahmad
Umer, Rashid
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
author_facet Abbas, Mujahad, Abbas
Komal, Rizwan
Nasir, Rasool
Muhammad Ali, Hashmi
Gulraiz, Ahmad
Umer, Rashid
author_sort Abbas, Mujahad, Abbas
title 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_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_sort palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties
publisher Chiang Mai University
publishDate 2020
url http://psasir.upm.edu.my/id/eprint/87045/
https://epg.science.cmu.ac.th/ejournal/journal-Issue.php?vid=89
_version_ 1800093762077065216
score 13.160551

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