Arylpentazoles with surprisingly high kinetic stability-Reference-Cited by-同舟云学术

Arylpentazoles with surprisingly high kinetic stability

Published:2021 Issue:43 Volume:57 Page:5310-5313
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Bo Xiao-xu¹²³⁴⁵,Dong Zhi-yong¹²³⁴⁵,Ding Yi-hong¹²³⁴⁵^ORCID

Affiliation:

1. Laboratory of Theoretical and Computational Chemistry

2. Institute of Theoretical Chemistry

3. Jilin University

4. Changchun 130023

5. P. R. China

Abstract

A co-stabilization method was proposed to design a series of novel arylpentazoles with very high N₂-leaving barriers, one of which reached hitherto the highest value of 40.83 kcal mol⁻¹ at the CBS-QB3 level.

Funder

National Natural Science Foundation of China

Jilin University

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

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CC/D1CC01793D

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5. Polynitrogen compounds

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