Laser initiation of modified complex cobalt (III) perchlorate

Laser initiation of modified complex cobalt (III) perchlorate

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...

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Bibliographic Details
Published in:Zeitschrift für anorganische und allgemeine Chemie (1950) Vol. 647; no. 12; pp. 1254 - 1260
Main Authors: Ilyushin, Mikhail A., Voznyakovskii, Alexander P., Shugalei, Irina V., Tverjanovich, Andrey S.
Format: Journal Article
Language:English
Published: Weinheim Wiley Subscription Services, Inc 25-06-2021
Subjects:
Additives
Ammonia
Cobalt compounds
complex cobalt perchlorate
Decomposition
decomposition, initiating ability
Density functional theory
Detonators
Graphene
laser initiation
Lasers
Mathematical analysis
multilayer graphene
Multilayers
quantum chemical calculation
Quantum chemistry
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Summary: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.
Bibliography:Dedicated to Professor Thomas M. Klapoetke on the occasion of his 60 birthday
ISSN:0044-2313
1521-3749
DOI:10.1002/zaac.202100076