Structure of the Si45 Cluster

Abstract

There has been much interest in the Silicon cluster, both from an experimental and theoretical point of view. The original impetus to this effort was the astounding experimental results compiled by Elkind et al, which reported a reactivity difference between various silicon clusters spanning two orders of magnitude. Silicon ions were found to be unreactive with ammonia and methanol. This implies a periodicity of six atoms in the reactivity pattern for clusters ranging form 30 to 45 atoms. For clusters larger than 45 atoms the reactivity appeared to monotonically increase. J. C. Phillips suggested that silicon forms six-membered rings in a carbon-like fashion and proposed a structure of stacked rings with a three-atom cap. We took this suggestion literally, and in what we believe to be the first calculation which tried to explain this data, proposed a series of stacked benzene rings and attempted to show that this accounted for the experiment.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 1991
Accession Number
ADA240278

Entities

People

  • Brian L. Swift
  • Daniel A. Jelski
  • Tapio T. Rantala
  • Thomas F. George
  • Xinfu Xia

Organizations

  • Washington State University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Band Gaps
  • Band Structures
  • Carbon
  • Chemistry
  • Classification
  • Cohesion
  • Dipole Moments
  • Distortion
  • Energy Bands
  • Experimental Data
  • Geometry
  • Materials Science
  • Molecules
  • New York
  • Physics
  • Topology
  • United States

Readers

  • Mathematics or Statistics
  • Quantum Chemistry
  • Systems Analysis and Design