Effectively improving the energy of monocyclic imidazoles to a high level by the introduction of bridge-rings and nitro groups through different kinds of Diels–Alder reactions: a DFT study-Reference-Cited by-同舟云学术

Effectively improving the energy of monocyclic imidazoles to a high level by the introduction of bridge-rings and nitro groups through different kinds of Diels–Alder reactions: a DFT study

Published:2020 Issue:10 Volume:5 Page:1679-1690
ISSN:2058-9689
Container-title:Molecular Systems Design & Engineering
language:en
Short-container-title:Mol. Syst. Des. Eng.

Author:

Wu Qiong¹²³⁴⁵^ORCID,Hu Qinnan¹²³⁴⁵,Li Mingquan¹²³⁴⁵,Zhang Zewu¹²³⁴⁵^ORCID,Zhu Weihua⁶⁷⁸⁵^ORCID

Affiliation:

1. Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology

2. School of Materials Science and Engineering

3. Nanjing Institute of Technology

4. Nanjing 211167

5. China

6. Institute for Computation in Molecular and Materials Science and Department of Chemistry

7. Nanjing University of Science and Technology

8. Nanjing 210094

Abstract

In this work, the classic Diels–Alder reaction was employed to improve the energy of traditional existing monocyclic imidazole-based energetic compounds to a high level.

Funder

Natural Science Foundation of Jiangsu Province

Nanjing Institute of Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Industrial and Manufacturing Engineering,Process Chemistry and Technology,Energy Engineering and Power Technology,Biomedical Engineering,Chemical Engineering (miscellaneous),Chemistry (miscellaneous)

Link

http://pubs.rsc.org/en/content/articlepdf/2020/ME/D0ME00075B

Reference32 articles.

1. Azo1,3,4-oxadiazole as a Novel Building Block to Design High-Performance Energetic Materials

2. Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials

3. N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design

4. Synthesen in der hydroaromatischen Reihe

5. The Diels--Alder Reaction of 1-Vinylnaphthalene with α,β- and α,β,γ,δ-Unsaturated Acids and Derivatives

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