Journal of Molecular Structure

Synthesis, spectroscopy and computational studies of selected hydroxyquinoline carboxylic acids and their selected fluoro-, thio-, and dithioanalogues

JE Nycz, GJ Malecki

Index: Nycz, Jacek E.; Malecki, Grzegorz J. Journal of Molecular Structure, 2013 , vol. 1032, p. 159 - 168

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Citation Number: 6

Abstract

The faster and more efficient new synthetic methodologies of crystalline hydroxyquinoline carboxylic acids and their fluoro-, thio-and dithioanalogues were elaborated. The FTIR, multinuclear NMR, UV–Vis and single crystal X-ray characteristics of the series of quinoline carboxylic acids have been determined experimentally and rationalized on the basis of DFT calculation method with B3LYP functional.