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)

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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