TY - JOUR
T1 - Crystal Structure, Sensitiveness and Theoretical Explosive Performance of Xylitol Pentanitrate (XPN)
AU - Stark, Kelly Anne S.
AU - Alvino, Jason F.
AU - Kirkbride, K. Paul
AU - Sumby, Christopher J.
AU - Metha, Gregory F.
AU - Lenehan, Claire E.
AU - Fitzgerald, Mark
AU - Wall, Craig
AU - Mitchell, Mark
AU - Prior, Chad
PY - 2019/5/1
Y1 - 2019/5/1
N2 -
Xylitol pentanitrate (XPN) is a little-studied nitrate ester of similar molecular structure to the military energetic materials pentaerythritol tetranitrate (PETN) and nitroglycerin (NG). XPN was crystallised from a mixture of ethanol and water by slow evaporation and studied by single crystal X-ray diffraction. XPN crystallises in the centrosymmetric monoclinic space group P2
1
/n, with a calculated density of 1.852 g cm
−3
. Sensitiveness analysis of the energetic material revealed it to be a primary explosive, significantly more sensitive than PETN to friction and impact. The calculated heat of formation of XPN, −500.48 kJ mol
−1
, and the density were exploited utilising the Cheetah 7.0 suite of programs to predict explosive performance parameters. The theoretical explosive performance of XPN was comparable to the calculated explosive parameters of erythritol tetranitrate (ETN), PETN and cyclotrimethylene trinitramine (RDX).
AB -
Xylitol pentanitrate (XPN) is a little-studied nitrate ester of similar molecular structure to the military energetic materials pentaerythritol tetranitrate (PETN) and nitroglycerin (NG). XPN was crystallised from a mixture of ethanol and water by slow evaporation and studied by single crystal X-ray diffraction. XPN crystallises in the centrosymmetric monoclinic space group P2
1
/n, with a calculated density of 1.852 g cm
−3
. Sensitiveness analysis of the energetic material revealed it to be a primary explosive, significantly more sensitive than PETN to friction and impact. The calculated heat of formation of XPN, −500.48 kJ mol
−1
, and the density were exploited utilising the Cheetah 7.0 suite of programs to predict explosive performance parameters. The theoretical explosive performance of XPN was comparable to the calculated explosive parameters of erythritol tetranitrate (ETN), PETN and cyclotrimethylene trinitramine (RDX).
KW - crystal structure
KW - explosive performance
KW - Nitrate ester
KW - sensitivity
KW - Xylitol pentanitrate
UR - http://www.scopus.com/inward/record.url?scp=85063347842&partnerID=8YFLogxK
UR - http://purl.org/au-research/grants/ARC/LE0989336
U2 - 10.1002/prep.201800337
DO - 10.1002/prep.201800337
M3 - Article
AN - SCOPUS:85063347842
SN - 0721-3115
VL - 44
SP - 541
EP - 549
JO - Propellants, Explosives, Pyrotechnics
JF - Propellants, Explosives, Pyrotechnics
IS - 5
ER -