Article ID Journal Published Year Pages File Type
1232853 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2014 6 Pages PDF
Abstract

•Novel 1,3,4-oxadiazole derivatives were prepared and fully characterized.•UV–vis absorption and fluorescence spectroscopy of all compounds were measured.•The minimized structures, the molecular orbital (HOMO and LUMO) energies and the orbital maps of compound 5a–g were calculated.

A series of novel 5-(3-aryl-1H-pyrazol-5-yl)-2-(3-butyl-1-chloroimidazo[1,5-a]- pyridin-7-yl)-1,3,4-oxadiazole derivatives has been synthesized from 3-butyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylic acid and ethyl 3-aryl-1H-pyrazole-5-carboxylate. The compounds were characterized using IR, 1H NMR, HRMS and UV–vis absorption. The fluorescence spectral characteristics of the compounds in dichloromethane were investigated. The results showed that absorption λmax and emission λmax was less correlated with substituent groups on N-1 position of pyrazole moiety and para position of benzene moiety. The calculated molecular orbital correlates well with their absorption.

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Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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