A Combined Experimental and Theoretical Study of the Neutral, Cationic and Anionic Si3N Cluster Molecule

Abstract

Collision experiments and high-level ab initio calculations are used for the first characterization of the neutral, cationic and anionic Si3N cluster molecules. The experimentally observed fragmentation processes are well described by calculated reaction energies of all dissociation channels. In addition, the geometries and harmonic frequencies of SiN (n=1-3) have been calculated for the cationic, anionic and neutral species.

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Document Details

Document Type
Technical Report
Publication Date
Apr 22, 1994
Accession Number
ADA278834

Entities

People

  • Alexander I. Boldyrev
  • H. Schwarz
  • Jack Simons
  • M. Iraqi
  • N. Gorldberg

Organizations

  • University of Utah

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Chemical Vapor Deposition
  • Collisions
  • Dissociation
  • Distortion
  • Electronic States
  • First Principles Calculations
  • Fragmentation
  • Frequency
  • Geometry
  • Mass Spectra
  • Mass Spectrometers
  • Mass Spectrometry
  • Materials
  • Military Research
  • Molecules
  • Spectra

Readers

  • Plasma Physics / Magnetohydrodynamics
  • Quantum Chemistry