Interaction of an alpha-Particle with TATB

Türker, Burhan Lemi
Varis, Serhat
Interaction of an alpha particle with triaminotrinitrobenzene (TATB) which is an insensitive explosive has been investigated by density functional calculations. It has been found that alpha-particles interact with TATB disturbing its planar geometry. As a result, the C-NO2 bond dissociation energies are substantially decreased, whereas detonation velocity and pressure values increased as compared to TATB. The quantum chemical properties of the structures are presented.


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Zahmakıran, Mehmet; Özkar, Saim; Department of Chemistry (2005)
Sodium borohydride is stable in alkaline solution, however, it hydrolyses and generates hydrogen gas in the presence of suitable catalyst. By this way hydrogen can be generated safely for the fuel cells. All of the catalyst having been used in the hydrolysis of sodium borohydride, with one exception, are heterogeneous. The limited surface area of the heterogeneous and therefore, have limited activity because of the surface area. Thus, the use of metal nanoclusters as catalyst with large surface area is expe...
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Genişel, Mustafa Fatih; Yılmaz, Ayşen; Department of Chemistry (2005)
In this study some of the first row transition metal oxides were transformed to metal sulfides by new solid gas reaction system. Transition metal sulfides have wide application area in industry and technology. Several techniques are known for the production of metal sulfides. Such as reactions between metal or metal oxide with H2S, precipitation in several liquid medium, reaction between metal and sulfur in closed vessel, chemical vapor deposition (CVD) technique. These techniques will have some disadvantag...
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Alper, Fatma; Özkar, Saim; Department of Chemistry (2004)
In this study, the effect of a donor ligand on the stabilization of a carbonyl pyrazine tungsten complex was studied. The pentacarbonylpyrazinetungsten(0) complex could be formed from the photolysis of hexacarbonyltungsten(0) in the presence of pyrazine and could be isolated as crystalline solid. However, the complex was found to be unstable in solution, being converted to a bimetallic complex, (CO)5W(pyz)W(CO)5 and free pyrazine molecule. Two complexes exist in solution at equilibrium. The equilibrium cons...
Synthesis of beta-chloro-alpha-aminophosphonate derivatives via the regioselective ring opening of unactivated aziridine-2-phosphonates
Polat-Cakir, Sidika; BEKSULTANOVA, Nurzhan; Doğan, Özdemir (Informa UK Limited, 2018-12-02)
A series of unactivated racemic and chiral aziridine-2-phosphonates were synthesized by modified Gabriel-Cromwell reaction. Ring opening reaction of the synthesized phosphonates by gaseous HCl provided access to a wide range of biologically interesting novel beta-chloro-alpha-aminophosphonates. All reactions toward each of the above-mentioned products can be conducted regioselectively in high yields.
Citation Formats
B. L. Türker and S. Varis, “Interaction of an alpha-Particle with TATB,” ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, pp. 1727–1731, 2014, Accessed: 00, 2020. [Online]. Available: