TY - JOUR
T1 - Preparation, crystal structure, thermal behavior, and theoretical studies of N,N'-dinitro-4, 4′-azo-bis(1,2,4-triazolone) (DNZTO)
AU - Zhu, Jiaping
AU - Jin, Shaohua
AU - Yu, Yuehai
AU - Wan, Li
AU - Li, Lijie
AU - Chen, Shusen
AU - Shu, Qinghai
PY - 2016/3
Y1 - 2016/3
N2 - N,N'-Dinitro-4,4′-azo-bis(1,2,4-triazolone) (DNZTO) is synthesized by the reaction of 4,4′-azo-bistriazolone (ZTO) with a mixture of nitric acid and acetic anhydride. The product was fully characterized by IR, NMR, matrix-assisted laser desorption/ionization with time-of-flight mass spectrometry, and single-crystal X-ray analysis. The explosive performance including detonation pressures (P), velocities (D) of DNZTO, and heats of formation were predicted using Gaussian 09 at B3LYP/6-311+G∗ ∗.
AB - N,N'-Dinitro-4,4′-azo-bis(1,2,4-triazolone) (DNZTO) is synthesized by the reaction of 4,4′-azo-bistriazolone (ZTO) with a mixture of nitric acid and acetic anhydride. The product was fully characterized by IR, NMR, matrix-assisted laser desorption/ionization with time-of-flight mass spectrometry, and single-crystal X-ray analysis. The explosive performance including detonation pressures (P), velocities (D) of DNZTO, and heats of formation were predicted using Gaussian 09 at B3LYP/6-311+G∗ ∗.
KW - Crystal structure
KW - DNZTO
KW - Theoretical studies
KW - Thermal behavior
UR - http://www.scopus.com/inward/record.url?scp=84962355556&partnerID=8YFLogxK
U2 - 10.1515/znb-2015-0121
DO - 10.1515/znb-2015-0121
M3 - Article
AN - SCOPUS:84962355556
SN - 0932-0776
VL - 71
SP - 194
EP - 204
JO - Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
JF - Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences
IS - 3
ER -