Experimental and theoretical study on free 5-nitroquinoline, 5-nitroisoquinoline, and their zinc(II) halide complexes was written by Yurdakul, Senay;Badoglu, Serdar;Gulesci, Yeliz. And the article was included in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy in 2015.Application of 607-32-9 This article mentions the following:
In this study where the interpretations of the exptl. IR and Raman spectra recorded at room temperature for the ligands 5-nitroquinoline (5NQ) and 5-nitroisoquinoline (5NIQ) and also for their Zn(II) halide (halogen: chlorine, bromine, iodine) complexes were first reported, the assignments of the observed fundamental bands were achieved in the light of the vibrational spectral data and total energy distribution (TED) values calculated at B3LYP/6-311++G(d,p) and B3LYP/LANL2DZ levels of theory. The equilibrium geometrical parameters, Natural Bond Orbital (NBO) charges and frontier orbital (HOMO, LUMO) energies of these mol. structures were also calculated at the same level of theory. Comparisons over the corresponding exptl. and theor. data obtained for the title ligands and their complexes revealed that in complex form both ligands bond to Zn(II) ion through their ring nitrogen atoms and NO2 groups at the same time. In the experiment, the researchers used many compounds, for example, 5-Nitroisoquinoline (cas: 607-32-9Application of 607-32-9).
5-Nitroisoquinoline (cas: 607-32-9) belongs to isoquinoline derivatives. Isoquinoline is a structural isomer of quinoline, which have antiseptic, antipyretic and anti-cyclic properties, and can be used as antimalarial drugs and for the preparation of other antimalarial medicine. The Pomeranz–Fritsch reaction provides a method for the preparation of isoquinoline. This reaction uses a benzaldehyde and aminoacetoaldehyde diethyl acetal, which in an acid medium react to form isoquinoline.Application of 607-32-9
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem