@conference{
author = "Kretić, Danijela S. and Veljković, Ivana S. and Marković, Nikola and Veljković, Dušan",
year = "2022",
abstract = "Recent advances in high-energy materials studies have shown that coordination compounds are promising energetic compounds with satisfactory detonation properties and moderate sensitivity. Earlier experimental studies found that the nitro-acetylacеtonato aluminum (III) complex easily ignites in the air when heated. Theoretical calculations performed on nitroaromatic explosives revealed that molecular electrostatic potential over the C-NO2 bonds is a good tool for determining the impact sensitivity of these molecules. Herein, we calculated the molecular electrostatic potential and bond dissociation energies for several nitro-tris(acetylacetonato) complexes. A rough estimation of the electrostatic potential predicts slightly positive electrostatic potentials above the C-NO2 bonds. These results show that the metal ion replacement may induce the fine adjustment of electrostatic potential above the C-NO2 bonds in the nitro-chelate complexes. The reported results agree with the calculated bond dissociation energies. These values indicate that introducing the transition metals in the nitro-chelate complexes may increase their sensitivity. However, we also synthesized and characterized the nitro-tris(acetylacetonato) cobalt(III) complex. The UV/VIS and FTIR tests confirmed that the synthesized complex was Co(acac-NO2)3. The open flame test showed that this complex easily combusts when exposed to the open flame.",
publisher = "Institute of Technical Sciences of SASA",
journal = "Programme and Book of Abstracts - Twentieth Young Researchers Conference – Materials Science and Engineering, November 30 - December 02 2022, Belgrade, Serbia",
title = "Tris-(nitroacetylacetonato) complexes as new high-energy materials",
pages = "24-24",
url = "https://hdl.handle.net/21.15107/rcub_cer_6698"
}
