Stabilization of boron hexagonal rings: Polyamino-benzene vs polyamino-cyclohexaborane(12)

Polyamino-benzene compounds (1, 2, …, n)(NH2)nC6H(6-n) with (n = 16) are compared to unknown polyamino-cyclohexaborane(12) molecules (1, 2, …, n)(NH2)nB6H(12-n) from geometrical and electronic structure points of view by means of quantum-chemical computations. Geometries, molecular electrostatic potentials (MEP), frontier orbitals and nucleus-independent chemical shifts (NICS) are compared between the two isostructural and isoelectronic sets of molecules, following the one-to-one correspondence between any open or closed (substituted) polycyclic conjugated hydrocarbon and the corresponding borane: {CnHm BnHm+n}. An experimental assessment on the water stability of hexagonal boron rings in borophane is also revisite