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Density functional method B3LYP plus the AUG‐cc‐pVDZ and AUG‐cc‐pVTZ basis sets is used to investigate ring normal modes of halogen‐substituted pyridines involved in the N···HX H‐bonds with HX (X = F, Cl). The results demonstrated that the formation of hydrogen bond leads to an increase in the frequencies of the ring breathing mode v1, the N‐para‐C stretching mode v6a and the meta‐CC stretching mode...
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