QUALITATIVE ESTIMATION OF THE DEPENDENCE OF THE NUMBER OF ENERGETIC COMPOUNDS ON THEIR OXYGEN COEFFICIENT

Citation
Im. Krukovskii et al., QUALITATIVE ESTIMATION OF THE DEPENDENCE OF THE NUMBER OF ENERGETIC COMPOUNDS ON THEIR OXYGEN COEFFICIENT, Russian chemical bulletin, 47(7), 1998, pp. 1266-1273
Citations number
21
Categorie Soggetti
Chemistry
Journal title
ISSN journal
10665285
Volume
47
Issue
7
Year of publication
1998
Pages
1266 - 1273
Database
ISI
SICI code
1066-5285(1998)47:7<1266:QEOTDO>2.0.ZU;2-N
Abstract
The ratio between the numbers of structural formulas of C,H,N,O-contai ning energetic compounds belonging to the classes of fuels (tow values of the oxygen coefficient A), explosives (medium A), and oxidants (hi gh A values) was studied by a computer generation procedure. The numbe r of the theoretically possible structural formulas was found to decre ase rapidly an going from fuels to explosives and then to oxidants; th is observation agrees with the data on the numbers of various energeti c compounds currently used and proposed. The strategy of the search fo r new compounds with the specified properties is described in brief, a nd its applicability to the search for explosives and oxidants with a small (up to 12) number of atoms in a molecule is evaluated.