Chiang Mai Journal of Science

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

Paper Type	Contributed Paper
Title	Palladium (0) Catalyzed Synthesis of Thiophene Based 1,3,4-oxadiazoles Their Reactivities and Potential Nonlinear Optical Properties
Author	Mujahad Abbas, Komal Rizwan, Nasir Rasool*, Muhammad Ali Hashmi, Gulraiz Ahmad, Umer Rashid and Syed Adnan Ali Shah
Email	nasirrasool@gcuf.edu.pk
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).
Start & End Page	1255 - 1264
Received Date	2019-11-21
Revised Date
Accepted Date	2020-03-22
Full Text	Download
Keyword	hydrazide, oxadiazole, non-linear, density functional, optical, computational
Volume	Vol.47 No.6 (November 2020)
DOI
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