2021
DOI: 10.1016/j.saa.2021.119576
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Assessing the potential of para-donor and para-acceptor substituted 5-benzylidenebarbituric acid derivatives as push–pull electronic systems: Experimental and quantum chemical study

Abstract: h i g h l i g h t s 5-benyzlidenebarbiturates were investigated spectroscopically and theoretically. LFER analysis of spectral data and optimized geometry parameters are performed. ICT analysis for quantification of the efficiency of charge transfer is used. The best candidate for the push-pull system is para-N(CH 3 ) 2 substituted derivative. The weak electron-donating properties of barbituric acid are reported.

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References 67 publications
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