Excited Electronic States of Energetic Materials - Structure, Dynamics, Reactivity.
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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 05, 1995
- Accession Number
- ADA299712
Entities
People
- Elliot R. Bernstein
Organizations
- Colorado State University