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Structures of medium sized tin cluster anions.

Anne Wiesel¹, Nedko Drebov, Thomas Rapps

¹Institut für Nanotechnologie, Karlsruher Institut für Technologie (KIT), Postfach 3640, 76021 Karlsruhe, Germany.

Physical Chemistry Chemical Physics : PCCP

|November 11, 2011

Summary

Medium-sized tin cluster anions (Sn(n)(-), n=16-29) adopt prolate structures built from stable subunits. Unexpected "pearl-chain" growth occurs, with fission as the primary fragmentation pathway.

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Area of Science:

* Physical Chemistry
* Materials Science
* Nanotechnology

Background:

* Understanding the structural evolution of medium-sized metal clusters is crucial for predicting their properties.
* Tin cluster anions offer a unique system to study bonding and growth mechanisms.

Purpose of the Study:

* To determine the structures of tin cluster anions Sn(n)(-) for n = 16-29.
* To elucidate the growth patterns and fragmentation mechanisms of these tin clusters.

Main Methods:

* Density Functional Theory (DFT) calculations for structural prediction.
* Trapped Ion Electron Diffraction (TIED) for experimental structure determination.
* Collision Induced Dissociation (CID) for fragmentation analysis.

Main Results:

* Predominantly prolate structures were identified for Sn(n)(-) (n=16-29).
* A recurring structural motif based on Sn(7), Sn(9), and Sn(10) subunits was observed.
* Tin clusters exhibit a
pearl-chain
growth mode, with fission as the dominant fragmentation channel in CID experiments.

Conclusions:

* The stability of subunit clusters dictates the overall structure and growth of larger tin anions.
* The observed growth pattern challenges conventional cluster assembly theories.
* Tin cluster anions provide insights into the fundamental principles governing nanoscale material formation.