Transition metal complexes with (NO)(3)(-) anions

Density functional theory calculations are performed to determine structure s, stabilities, and characteristic vibrational frequencies for metal comple xes with nitric oxide trimer ligands. The study emphasizes the possible cru cial importance of the 3.0 eV first ionization energy of the (NO)(3)(-) ani on. Metal complexes with the composition M[(NO)(3)](2) are considered, wher e M is Mg, Ni, Cu, and Zn. Properties of the Cu(NO)(3) complex are evaluate d for reference. Possible technological importance to catalysis and drug de livery systems is implied. (C) 1999 Elsevier Science B.V. All rights reserv ed.