Structure, stability and intramolecular interaction of M(N5)2(M = Mg, Ca, Sr and Ba) : a theoretical study-Reference-Cited by-同舟云学术

Structure, stability and intramolecular interaction of M(N5)2(M = Mg, Ca, Sr and Ba) : a theoretical study

Published:2015 Issue:28 Volume:5 Page:21823-21830
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Zhang Xueli¹²³⁴,Yang Junqing¹²³⁴,Lu Ming¹²³⁴,Gong Xuedong¹²³⁴

Affiliation:

1. School of Chemical Engineering

2. Nanjing University of Science and Technology

3. Nanjing 210094

4. China

Abstract

The potential energetic materials, alkaline earth metal complexes of the pentazole anion (M(N₅)₂, M = Mg²⁺, Ca²⁺, Sr²⁺and Ba²⁺), were studied using the density functional theory.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA00818B

Reference56 articles.

1. Theoretical investigation of 4-amino triazolylpentazole: A breakthrough to nitrogen-rich heterocycles

2. Guiding the synthesis of pentazole derivatives and their mono- and di-oxides with quantum modeling

3. Kinetic Stability and Propellant Performance of Green Energetic Materials

4. Theoretical estimation of the acidities of alcohols and azoles in gas phase, DMSO, and water

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