Accession Number : ADA299712

Title :   Excited Electronic States of Energetic Materials - Structure, Dynamics, Reactivity.

Descriptive Note : Final rept.,

Corporate Author : COLORADO STATE UNIV FORT COLLINS

Personal Author(s) : Bernstein, Elliot R.

PDF Url : ADA299712

Report Date : 05 JUL 1995

Pagination or Media Count : 7

Abstract : In this work we have studied the properties of Rydberg states of amines and ethers with a view to their application to and importance for the chemistry of energetic materials. We have learned that in clusters these Rydberg states can be quite reactive and, in fact, they dominate the excited state chemistry and dynamics through electron transfer reactions. This unexpected and new phenomenon can be understood based on available excited state orbitals (Rydberg, sigma*, pi*) for the solvent molecules. If the solvent molecule for the amine or ether is another amine, ether, or aromatic, a low lying electron transfer state is generated, due to the exchange interaction, which is the first step in a chain of chemical reactions. We conclude that these electron transfer states generated from Rydberg state-solvent interactions are quite general and can represent the initial step in electron transfer oxidation-reduction chemistry for energetic materials.

Descriptors :   *MATERIALS, *EXCITATION, *AMINES, *ELECTRONIC STATES, *ENERGETIC PROPERTIES, INTERACTIONS, DYNAMICS, MOLECULES, COMPOSITE MATERIALS, REACTIVITIES, CHEMISTRY, CHEMICAL REACTIONS, ETHERS, SOLVENTS, MOLECULAR STRUCTURE, ELECTRON TRANSFER, EXCHANGE, CHAIN REACTIONS, ELECTRON PARAMAGNETIC RESONANCE, OXIDATION REDUCTION REACTIONS, MOLECULAR ORBITALS.

Subject Categories : Physical Chemistry
      Inorganic Chemistry
      Organic Chemistry
      Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE