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Syntheses and Characterization of two cyclo‐pentazolate salts
Author(s) -
Wang Xieyang,
Dong Zhen,
Yang Rui,
Zhou Shengren,
Ye Zhiwen
Publication year - 2021
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.202000309
Subject(s) - detonation , thermal decomposition , elemental analysis , thermal stability , salt (chemistry) , chemistry , salt metathesis reaction , metathesis , decomposition , energetic material , thermal analysis , infrared spectroscopy , metal , inorganic chemistry , supercritical fluid , explosive material , thermal , organic chemistry , thermodynamics , polymerization , polymer , physics
Two energetic salts of cyclo‐N 5 − , O‐methylisoure pentazolate ( 1 ) and guanidinoacetic acid pentazolate ( 2 ), were synthesized by metathesis reaction. All the energetic cyclo‐N 5 − salts were characterized by single‐crystal XRD, IR spectroscopy, 1 H and 13 C multinuclear NMR spectroscopy, thermal analysis (DSC) and elemental analysis. They exhibit good thermal stability with decomposition temperatures of more than 100 °C and they are in excellent agreement with those reported non‐metallic salts. Salt 1 also exhibits strong π‐π interactions. The standard enthalpies of formation and detonation performances of these salts were calculated using Gaussian 09 and EXPLO5 v6.01 programs. The detonation velocities of compound 1 and 2 are both about 7400 m s −1 and these two salts exhibit low mechanical sensitivity (IS>23 J, FS>220 N). Therefore, in this work, the synthesis of the new pentazolate salts enriches the cyclo‐pentazolate salts system, which is conducive to the exploration of more heat‐resistant and higher detonation velocities pentazolate salts.