The solvatochromic shifts of the two isomeric title betaines 4 and 5, built up from the unsubstituted pyridinio acceptor and phenoxide donor fragments, were recorded in twelve solvents and the data compared with results from semi-empirical (AM1) and ab initio (HF/6-311G and B3LYP/6-311G) calculations.
D. González, O. Neilands and M. Caroli Rezende, J. Chem. Soc., Perkin Trans. 2, 1999, 713 DOI: 10.1039/A900470J
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