TY - JOUR

T1 - Nitrogen-rich metal-free salts: a new look at the 5-(trinitromethyl)tetrazolate anion as an energetic moiety

AU - Chaplygin, Daniil A.

AU - Larin, Alexander A.

AU - Muravyev, Nikita V.

AU - Meerov, Dmitry B.

AU - Kosareva, Ekaterina K.

AU - Kiselev, Vitaly G.

AU - Pivkina, Alla N.

AU - Ananyev, Ivan V.

AU - Fershtat, Leonid L.

N1 - Funding Information: This work was supported by the Russian Science Foundation (project 19-73-20217). The characterization of the compounds studied was performed at the Department of Structural Studies of Zelinsky Institute of Organic Chemistry RAS. The computational work was also supported by the Supercomputer Center of Novosibirsk State University and Irkutsk Supercomputer Center SB RAS through the use of their computational facilities. The single crystal X-ray diffraction study of 6 was supported by the Ministry of Science and Higher Education of the Russian Federation and performed using the equipment of the Center for Molecular Composition Studies of INEOS RAS. Publisher Copyright: © The Royal Society of Chemistry 2021.

PY - 2021/10/21

Y1 - 2021/10/21

N2 - A series of energetic nitrogen-rich salts comprised of a 5-(trinitromethyl)tetrazolate anion and high-nitrogen cations was synthesized by simple and efficient chemical routes from readily available commercial reagents. These energetic materials were fully characterized by IR and multinuclear NMR (1H,13C,14N) spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). Additionally, the structure of an energetic salt containing the 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazolium cation was confirmed by single-crystal X-ray diffraction. The synthesized compounds exhibit decent experimental densities (1.648-1.845 g cm−3) and positive enthalpies of formation (up to 725.5 kJ mol−1) and, as a result, superior detonation performance (detonation velocities 8.2-9.2 km s−1and detonation pressures 28.5-37.8 GPa), which is comparable to or even exceeding those of commonly used booster explosive PETN. On the other hand, high mechanical sensitivity of several novel 5-(trinitromethyl)tetrazolate salts along with their high combined nitrogen-oxygen content (>81%) and excellent detonation performance render them environmentally friendly alternatives to lead-based primary explosives.

AB - A series of energetic nitrogen-rich salts comprised of a 5-(trinitromethyl)tetrazolate anion and high-nitrogen cations was synthesized by simple and efficient chemical routes from readily available commercial reagents. These energetic materials were fully characterized by IR and multinuclear NMR (1H,13C,14N) spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). Additionally, the structure of an energetic salt containing the 3,6,7-triamino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazolium cation was confirmed by single-crystal X-ray diffraction. The synthesized compounds exhibit decent experimental densities (1.648-1.845 g cm−3) and positive enthalpies of formation (up to 725.5 kJ mol−1) and, as a result, superior detonation performance (detonation velocities 8.2-9.2 km s−1and detonation pressures 28.5-37.8 GPa), which is comparable to or even exceeding those of commonly used booster explosive PETN. On the other hand, high mechanical sensitivity of several novel 5-(trinitromethyl)tetrazolate salts along with their high combined nitrogen-oxygen content (>81%) and excellent detonation performance render them environmentally friendly alternatives to lead-based primary explosives.

UR - http://www.scopus.com/inward/record.url?scp=85117009577&partnerID=8YFLogxK

U2 - 10.1039/d1dt02688g

DO - 10.1039/d1dt02688g

M3 - Article

C2 - 34505609

AN - SCOPUS:85117009577

VL - 50

SP - 13778

EP - 13785

JO - Dalton Transactions

JF - Dalton Transactions

SN - 1477-9226

IS - 39

ER -