Bicyclic CN2O2 as a high-energy density material: promising or not?

Author:

He Fei-fei1234,Zhang Xiao-yong1234,Ding Yi-hong1234

Affiliation:

1. Institute of Theoretical and Computational Chemistry

2. Jilin University

3. Changchun 130023

4. People's Republic of China

Abstract

A previously unreported decomposition transition state TS2 was located, which could significantly reduce the decomposition barrier of C to be less than the half of the previously reported value. So C seems unlikely to act as a molecular HEDM!

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Reference32 articles.

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2. B. deB. Darwent , National Standard Reference Data Series, National Bureau of Standards, no. 31, Washington, 1970

3. III - Bond energies

4. Nitryl Cyanide, NCNO2

5. Synthesis and Characterization of Fluorodinitroamine, FN(NO2)2

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