Theoretical estimation of pnicogen bonds and hydrogen bonds in small heterocyclic complexes: Red-shifts and blue-shifts ruled by polarization effects

- This paper definitively discusses the interaction strength.
- Analyses of the red-shifts and blue-shift.
- Stretch frequencies of the hydrogen bonds and pnicogen bonds in heterocyclic compounds.
- Theoretical calculations derived from topological parameters of the Quantum Theory of Atoms in Molecules (QTAIM).
- The analysis of the Natural Bond Orbital (NBO) in line with the Bent's rule of the chemical bonding.