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First principle investigations on the superhalogen behaviour of RuOn (n = 1–5) species

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Abstract

Density functional approach has been employed to investigate the ground state geometries and stabilities of RuO n species (n = 1 to 5) in neutral as well as in anionic forms. It is shown that Ru can bind stably with four O atoms indicating the maximum oxidation state of Ru as high as +8. The adiabatic electron affinities of RuO n reveal the superhalogen behaviour of RuO4. The interaction of RuO4 superhalogen with an alkaline metal Ca forms a stable CaRuO4 complex. In this complex, RuO4 unit closely mimics the behaviour of O atom when compared with CaO. This provides an opportunity to synthesize new class of complex compounds by interaction of RuO4 with appropriate metal atom.

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  1. Department of Physics, University of Lucknow, Lucknow, India

    Ambrish Kumar Srivastava & Neeraj Misra

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  1. Ambrish Kumar Srivastava
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  2. Neeraj Misra
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Correspondence to Neeraj Misra.

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Srivastava, A., Misra, N. First principle investigations on the superhalogen behaviour of RuOn (n = 1–5) species. Eur. Phys. J. D 68, 309 (2014). https://doi.org/10.1140/epjd/e2014-50333-x

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