The interaction of ions with borazine has theoretically been investigated from NMR point of view at the B3LYP/6-311++G(d,p) and PBE0/6-311++G(d,p) levels of theory. In comparison with anionic complexes, H atoms in cationic cases were found to be much more deshielded. Unlike vertical bar(1)J(B-N)broken vertical bar coupling constant, the vertical bar(1)J(N-H)vertical bar and (1)J(B-H) increase in cationic complexes and decrease in anionic ones. Furthermore, the changes of NMR data have been considered with regard to geometric and electronic effects. It was found that the electronic effects have the dominant role for determining H shielding and J values. (C) 2015 Elsevier B.V. All rights reserved.