Eur. Phys. J. D (2014) 68: 309
https://doi.org/10.1140/epjd/e2014-50333-x

Regular Article

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

Department of Physics, University of Lucknow, Lucknow, India

^a e-mail: neerajmisra11@gmail.com

Received: 28 April 2014
Received in final form: 24 July 2014
Published online: 21 October 2014

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.