Accession Number:

ADA285976

Title:

Computational Evaluation of the Feasibility of Nitrating Precursors to C12N12O12

Descriptive Note:

Technical rept.

Corporate Author:

NEW ORLEANS UNIV LA DEPT OF CHEMISTRY

Personal Author(s):

Report Date:

1994-10-20

Pagination or Media Count:

7.0

Abstract:

In order to determine the feasibility of nitrating the immediate precursors of 1, we have computed the average local ionization energies on their surfaces and compared their minimum values to those of mono-, di- and trinitrobenzene. Our results indicate that there is a reasonable likelihood of being able to nitrate the precursors of 1. C12N12O12, Nitration, Average local ionization energies

Subject Categories:

  • Inorganic Chemistry
  • Organic Chemistry
  • Physical Chemistry
  • Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE