Density functional study on the structure and stability of positive iron rare-gas complexes, FeXn (X=Ar, Xe; n=1–6) |
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Authors: | Nayana Vaval Solomon Bililign Robert J Gdanitz |
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Institution: | Department of Physics, North Carolina A&T State University, Marteena Hall, Rm. 101, Greensboro, NC 27411, USA |
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Abstract: | The structures and atomization energies of positively charged complexes of iron with argon and xenon, Fe+Xn (X=Ar, Xe; n=1–6) are investigated by density functional theory calculations. We explain the special stability of some of these complexes (“magic numbers”) – that has been observed in previous laser ablation and multi-photon ionization experiments – and predict their geometries. |
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