A Relationship between 15N NMR Chemical Shifts
and Detonation Characteristics of Polynitro Derivatives
of Arenes and Polyazaarenes

 

Svatopluk ZEMAN

Institute of Energetic Materials (IEM), University of Pardubice,
CZ-532 10 Pardubice, Czech Republic
Phone: +420 46 603 8023

Markéta PEŠKOVÁ

Deptartment of Organic Chemistry, University of Pardubice,
CZ-532 10 Pardubice, Czech Republic

Abstract:The 15N NMR chemical shifts of eighteen polynitro arenes have been
determined. The relationships were found and discussed between the characteristics
of detonation and thermal decomposition, on the one hand, and 15N NMR chemical
shifts of nitrogen atoms of the primarily split off nitro groups, on the other hand.
Also the relationships are specified between the 15N NMR chemical shifts in the
solid state of some polynitro derivatives of aminopyridines and aminopyrimidines,
on the one hand, and squares of their detonation velocities, on the other. It has been
stated that the chemical micromechanisms of primary fission processes of molecules
of the studied compounds in the initiation by shock should be the same as in the
case of their low-temperature thermal decomposition. Also mentioned is relevance
of the modified Evans-Polanyi-Semenov relationship. On the basis of the findings
presented it also has been stated that the detonation transformation itself of these
polynitro compounds should be preceded by an induction period.

Keywords:detonation, initiation mechanism, polynitro arenes, 15N NMR chemical
shifts, thermal decomposition