Abstract
1-(Pyridin-2-yl)-3-(quinolin-2-yl)acetone is a very interesting compound from a tautomeric equilibra point of view. It may exist in eight tautomeric forms. Calculations at the B3LYP/6-31+G* level show, that the most stable form of this compound in the vacuum is (3 Z)-1-(pyridin-2-yl)-3-(quinolin-2(1 H)-ylidene)acetone. Proton transfer on heterocyclic nitrogen atom is connected with decreasing the aromaticity of these rings. Additionally the aromaticity of quasi-rings also deserves on attention. HOMA values show that as a result of proton transfer, they turn from the completely antiaromatic into more aromatic than heterocyclic rings.
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