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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 
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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 Journal of Science, 2020; 47(6): 1255-1264.
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