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Unusual bonding and electron affinity of nickel group transition metal oxide clusters

We perform density functional calculations on the ground state geometries of MOn clusters (M = Ni, Pd, Pt; n = 1–5) in neutral as well as anionic forms. Our calculations reveal that Ni can bind up to three O atoms while Pd and Pt bind with four O atomically indicating the fact that the maximum oxidation state of Ni can take the value of +6 and can go as high as +8 in case of Pd or Pt. The electron affinities of MOn suggest that these species behave as superhalogens for n ≥ 2. The large electron affinities of MOn species along with stability of their anions further point towards the synthesis of new class of compounds having unusual oxidising capabilities.