Quantum tunneling instability of the mythical hexazine and pentazine

Author:

Sedgi Itzhak12ORCID,Kozuch Sebastian1ORCID

Affiliation:

1. Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva 841051, Israel

2. Department of Analytical Chemistry, Nuclear Research Center Negev., P.O. Box 9001, Beer-Sheva, Israel

Abstract

Pentazine and Hexazine, two hypothetical high-energy density materials, exhibit inherent instability due to quantum tunneling effects.

Funder

Israel Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Reference46 articles.

1. Azabenzenes (azines) — The nitrogen derivatives of benzene with one to six N atoms: Stability, homodesmotic stabilization energy, electron distribution, and magnetic ring current; a computational study

2. H.Neunhoeffer and P. F.Wiley , Chemistry of 1,2,3-Triazines and 1,2,4-Triazines, Tetrazines, and Pentazin , Wiley , 1978 , vol. 33

3. As a matter of fact, only one tetrazine isomer has been synthesized, 1,2,4,5-tetrazine, the other two isomers of tetrazine are still unknown

4. Roald Hoffmann on the Philosophy, Art, and Science of Chemistry , ed. J. Kovac , M. Weisberg , J. Kovac and M. Weisberg , Oxford University Press , Oxford, New York , 2012

5. Learning from Molecules in Distress

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