Chemical Reactions in Clusters

Abstract

Four different classes of cluster chemical reactions are reviewed and specific examples from our laboratory are given for each class. Solvent induced electron transfer reactions are illustrated by our studies of 4- dimethylaminobenzonitrile/acetonitrile clusters. The electron transfer reaction depends on solvent polarity and on cluster structure. The reaction is induced by only one properly oriented CH 3 CN solvent molecule. Proton transfer reactions in neutral clusters are exemplified by the 1-naphthol/ammonia cluster system. Proton transfer occurs in the first excited singlet state of the 1-naphthol (NH 3)3 cluster of the proper geometry. Two time decays are measured for this event: one dealing with proton transfer and the other with solvent reorganization or relaxation following the transfer event. Isotope, energy, cluster size dependence, and model calculations demonstrate a proton tunneling mechanism is appropriate for this reaction. Cluster ion chemistry for toluene, toluene-d3, benzyl alcohol, benzyl-alpha, alpha-d2 alcohol, benzyl-alpha, a-Me2 alcohol/ammonia and water clusters is also discussed. These ionic reactions are characterized by benzyl-like radical formation, solvation of protons, and extensive cluster fragmentation following both ion formation and proton transfer. Finally, a preliminary study of radical reactions in clusters is presented for the benzyl radical clustered with ethylene, propylene, and actylene.

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Document Details

Document Type
Technical Report
Publication Date
Nov 04, 1992
Accession Number
ADA257828

Entities

People

  • Elliot R. Bernstein

Organizations

  • Colorado State University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Absorption
  • Alkenes
  • Alkynes
  • Charge Transfer
  • Chemical Reaction Properties
  • Chemical Reactions
  • Chemical Synthesis
  • Chemistry
  • Energy
  • Ground State
  • Inorganic Chemistry
  • Ionization
  • Organic Chemistry
  • Potential Energy
  • Spectra
  • Spectroscopy
  • Three Dimensional

Fields of Study

  • Chemistry

Readers

  • Organic Chemistry
  • Quantum Chemistry

Technology Areas

  • Microelectronics