Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties

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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Published in:Chiang Mai Journal of Science
Main Author: Abbas M.; Rizwan K.; Rasool N.; Hashmi M.A.; Ahmad G.; Rashid U.; Shah S.A.A.
Format: Article
Language:English
Published: Chiang Mai University 2020
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85094585221&partnerID=40&md5=186beb88240ad7d428b46f45f9843228
id 2-s2.0-85094585221
spelling 2-s2.0-85094585221
Abbas M.; Rizwan K.; Rasool N.; Hashmi M.A.; Ahmad G.; Rashid U.; Shah S.A.A.
Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties
2020
Chiang Mai Journal of Science
47
6

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85094585221&partnerID=40&md5=186beb88240ad7d428b46f45f9843228
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.
Chiang Mai University
1252526
English
Article
author Abbas M.; Rizwan K.; Rasool N.; Hashmi M.A.; Ahmad G.; Rashid U.; Shah S.A.A.
spellingShingle Abbas M.; Rizwan K.; Rasool N.; Hashmi M.A.; Ahmad G.; Rashid U.; Shah S.A.A.
Palladium (0) catalyzed synthesis of thiophene based 1,3,4-oxadiazoles their reactivities and potential nonlinear optical properties
author_facet Abbas M.; Rizwan K.; Rasool N.; Hashmi M.A.; Ahmad G.; Rashid U.; Shah S.A.A.
author_sort Abbas M.; Rizwan K.; Rasool N.; Hashmi M.A.; Ahmad G.; Rashid U.; Shah S.A.A.
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
publishDate 2020
container_title Chiang Mai Journal of Science
container_volume 47
container_issue 6
doi_str_mv
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85094585221&partnerID=40&md5=186beb88240ad7d428b46f45f9843228
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). © 2020, Chiang Mai University. All rights reserved.
publisher Chiang Mai University
issn 1252526
language English
format Article
accesstype
record_format scopus
collection Scopus
_version_ 1792585529874710528

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