On some strategies to design new high energy density molecules

Mondal, T. ; Saritha, B. ; Ghanta, S. ; Roy, T. K. ; Mahapatra, S. ; Durga Prasad, M. (2009) On some strategies to design new high energy density molecules Journal of Molecular Structure: Theochem, 897 (1-3). pp. 42-47. ISSN 0166-1280

Full text not available from this repository.

Official URL: http://www.sciencedirect.com/science/article/pii/S...

Related URL: http://dx.doi.org/10.1016/j.theochem.2008.11.013


Some new design principles of CHNO based high energy density molecules are explored. Several new molecules designed on the basis of these principles using the skeletal structures of RDX (1,3,5-trinitro-1,3,5-triazacyclohexane), HMX (1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane) and TNAZ (1,3,3-trinitroazetidine) are studied to validate these principles. The effect of substituent groups on density and heats of reaction are examined. The structure, stability and detonation properties of these new molecular systems are presented. Some of these compounds are found to be promising candidates for synthetic studies.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
Keywords:High Energy Density Molecules; Structure and Stability; Detonation Properties
ID Code:79366
Deposited On:25 Jan 2012 13:14
Last Modified:19 Dec 2014 12:18

Repository Staff Only: item control page