Chiang Mai Journal of Science

Print ISSN: 0125-2526 | eISSN : 2465-3845

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Palladium (0) Catalyzed Synthesis of Thiophene Based 1,3,4-oxadiazoles Their Reactivities and Potential Nonlinear Optical Properties

Mujahad Abbas, Komal Rizwan, Nasir Rasool*, Muhammad Ali Hashmi, Gulraiz Ahmad, Umer Rashid and Syed Adnan Ali Shah
* Author for corresponding; e-mail address: nasirrasool@gcuf.edu.pk
Volume: Vol.47 No.6 (November 2020)
Research Article
DOI:
Received: 21 November 2019, Revised: -, Accepted: 22 March 2020, Published: -

Citation: Abbas M., Rizwan K., Rasool N., Hashmi M.A., Ahmad G., Rashid U., et al., Palladium (0) Catalyzed Synthesis of Thiophene Based 1,3,4-oxadiazoles Their Reactivities and Potential Nonlinear Optical Properties, Chiang Mai Journal of Science, 2020; 47(6): 1255-1264.

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).

Keywords: hydrazide, oxadiazole, non-linear, density functional, optical, computational

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