Aromaticity and hydrogen storage capability of planar N64- and N42- rings

► Aromaticity/antiaromaticity of planar N64- and N42- rings are compared with their corresponding carbon analogues. ► Both N64- and N42- have shown their counterion effect in presence of suitable counter-cations. ► The aromaticity of N64- is increased through formation of complexes with Ca2+ ions. ► The decreasing trend of DelEads indicates that both N4Li2 and N6Ca2 act as good H2 trapping material. ► The σ- and π-components of the z-component of the induced magnetic field are analyzed.