Relationships Between Dissociation Energies and Electrostatic Potentials of C-NO2 Bonds. Applications to Impact Sensitivities.
Abstract
New data for nitroalkanes support earlier results lor nitroheterocycles indicating that C-NO2 dissociation energies are related to the computed electrostatic potential maxima on the molecular surfaces above these bond regions. This presumably explains the well-established involvement of the electrostatic potential in impact sensitivity correlations; a second factor in the latter, for unsaturated systems, is the internal charge separation in the molecule. jg p1
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 25, 1996
- Accession Number
- ADA303854
Entities
People
- Jane S. Murray
- Peter Politzer
Organizations
- University of New Orleans