Accession Number : ADA303854

Title :   Relationships Between Dissociation Energies and Electrostatic Potentials of C-NO2 Bonds. Applications to Impact Sensitivities.

Descriptive Note : Journal article,

Corporate Author : NEW ORLEANS UNIV LA DEPT OF CHEMISTRY

Personal Author(s) : Politzer, Peter ; Murray, Jane S.

PDF Url : ADA303854

Report Date : 25 JAN 1996

Pagination or Media Count : 13

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

Descriptors :   *IMPACT, *CHEMICAL DISSOCIATION, *ENERGY, *SENSITIVITY, *ALKANES, *ELECTROSTATICS, *NITRO RADICALS, MOLECULES, SURFACES, CHEMICAL BONDS, CORRELATION, INTERNAL, SEPARATION, ELECTROSTATIC CHARGE, NITROGEN HETEROCYCLIC COMPOUNDS, UNSATURATED HYDROCARBONS.

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

Distribution Statement : APPROVED FOR PUBLIC RELEASE