We perform a computational mapping study
of a family of new inorganic species, based on idea of donor–acceptor
type bonding between N+ and a ligand L with a terminal
electron lone pair. The nitrogen ion is seen as being in an atomic
1D state, with empty 2p acceptor orbitals [I.S.K. Kerkines.,
A. Papakondylis, A. Mavridis, J. Phys. Chem. A, 2002, 106, 4435].
We consider a series of small ligands, such as PN, CCH-,
CCCN-, NH2-, and others. Chemical bonding
analysis confirms the suggested bonding picture as characteristic
for experimentally known N5+ and N(CO)2+
as well as for most of the predicted species. A number of these
new compounds is found to be thermodynamically stable with respect
to the existing N5+ or N(CN)2-.
They are candidates for new synthetic targets.