Theoretical study of the influence of cation-π and anion-π interactions on some NMR data of borazine complexes

- Contrary to cation-π interaction, the anion-π increases the Hα and Hβ shieldings.
- The ρH and anisotropy effect of ring are the important factors to determine δH.
- The electronic effects have the dominant role for determining δH and J values.
- The values of |1JBN| and |1JNB| decrease by geometric effects.
- In each case, the FC term is the most important factor.