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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 
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 J. Sci., 2020; 47(6): 1255-1264.
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