Fig. 5. Isolines of dissected NICSzz for
B2N2 and
B5N5clusters.
Isolines of B5N5NICScore,zz, have not negligible long range diatropic
values according to the isosurface of NICSzz previously
shown, where the diatropicity is located nitrogen atoms. Contributions
of σ-electrons present short-range paratropic values in the center of
molecular plane as seen in the NICSzz isosurface of
B5N5. The contributions of π-electrons
show long-range pattern that allows us to say that this cluster is
weakly π-aromatic in agreement with RCS values.