On the Stability of Sodium-Tin Zintl Ions in Gas phase experiments
Abstract
A synergistic effort combining negative ion photoelectron spectroscopy of NanSnm^- clusters along with the first principles electronic structure studies has been used to demonstrate that Zintl ions found in solutions also exist as stable species in free clusters. The theoretical investigations are carried out within a gradient corrected density functional approach. Our studies on NanSn4^- clusters where n=0-4 and NaSnm^- clusters where m=4-7 show that Na3Sn4^- is a very stable cluster marked by a distorted tetrahedral tin core and can be regarded as (Na+)4(Sn4)-4 gas phase analogue of the Na:Sn tetrahedral Zintl phase. In addition, the NaSn5^- cluster is shown to be the most abundant species in the mass spectrum in the NaSnm^- series and its stability can be reconciled with Sn5^2- Zintl ions. The existence of stable Zintl ions in the gas phase can provide an alternate approach to look for possible Zintl phases.
- Publication:
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APS March Meeting Abstracts
- Pub Date:
- March 2007
- Bibcode:
- 2007APS..MARL18007R