Research output: Contribution to journal › Article › peer-review
Laser initiation of modified complex cobalt (III) perchlorate. / Ilyushin, Mikhail A.; Voznyakovskii, Alexander P.; Shugalei, Irina V.; Tverjanovich, Andrey S.
In: Zeitschrift fur Anorganische und Allgemeine Chemie, Vol. 647, No. 12, 25.06.2021, p. 1254-1260.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Laser initiation of modified complex cobalt (III) perchlorate
AU - Ilyushin, Mikhail A.
AU - Voznyakovskii, Alexander P.
AU - Shugalei, Irina V.
AU - Tverjanovich, Andrey S.
N1 - Publisher Copyright: © 2021 Wiley-VCH GmbH Copyright: Copyright 2021 Elsevier B.V., All rights reserved.
PY - 2021/6/25
Y1 - 2021/6/25
N2 - The article presents the results of quantum-chemical calculations of an isolated molecule of pentaammine-(5-nitro-2H-tetrazolato-N2)cobalt (III) perchlorate (complex 1, NCP) and the products of its possible primary decomposition stage. Using Quantum chemical calculations in the approximation of the density functional theory, it was shown that the decomposition of complex 1 probably starts with the destruction of the 5-nitrotetrazole ligand and the elimination of the nitrogen molecule, but not with the elimination of the coordinated ammonia molecule from the inner sphere of the cobalt complex. The likelihood of this mechanism increases with the addition of highly conductive nanocarbon additives. The effect of the addition of multilayer graphene additives on the interaction of laser radiation with the above complex has been examined in detail, and two variants of mechanisms for this effect have been identified. A real model of a laser detonator based on the experimental data, has been created.
AB - The article presents the results of quantum-chemical calculations of an isolated molecule of pentaammine-(5-nitro-2H-tetrazolato-N2)cobalt (III) perchlorate (complex 1, NCP) and the products of its possible primary decomposition stage. Using Quantum chemical calculations in the approximation of the density functional theory, it was shown that the decomposition of complex 1 probably starts with the destruction of the 5-nitrotetrazole ligand and the elimination of the nitrogen molecule, but not with the elimination of the coordinated ammonia molecule from the inner sphere of the cobalt complex. The likelihood of this mechanism increases with the addition of highly conductive nanocarbon additives. The effect of the addition of multilayer graphene additives on the interaction of laser radiation with the above complex has been examined in detail, and two variants of mechanisms for this effect have been identified. A real model of a laser detonator based on the experimental data, has been created.
KW - complex cobalt perchlorate
KW - decomposition, initiating ability
KW - laser initiation
KW - multilayer graphene
KW - quantum chemical calculation
KW - SALT
KW - MECHANISM
KW - DECOMPOSITION
KW - GRAPHENE
KW - decomposition
KW - initiating ability
UR - http://www.scopus.com/inward/record.url?scp=85105723319&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/e5f57e5c-26db-3cb7-aabb-74bfcb4670b9/
U2 - 10.1002/zaac.202100076
DO - 10.1002/zaac.202100076
M3 - Article
AN - SCOPUS:85105723319
VL - 647
SP - 1254
EP - 1260
JO - Zeitschrift fur Anorganische und Allgemeine Chemie
JF - Zeitschrift fur Anorganische und Allgemeine Chemie
SN - 0044-2313
IS - 12
ER -
ID: 78063714