High-energetic and low-sensitive 1,3,5-triamino 2,4,6-trinitrobenzene (TATB) crystal: first principles investigation and Hirshfeld surface analysis-Reference-Cited by-同舟云学术

High-energetic and low-sensitive 1,3,5-triamino 2,4,6-trinitrobenzene (TATB) crystal: first principles investigation and Hirshfeld surface analysis

Published:2021 Issue:13 Volume:45 Page:6136-6143
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Liu Yingzhe¹²³⁴^ORCID,Yu Tao¹²³⁴,Lai Weipeng¹²³⁴,Ma Yiding¹²³⁴^ORCID,Ge Zhongxue¹²³⁴,Yang Fang-Ling⁵⁶⁷⁸⁹,Liang Peng-Yu⁵⁶⁷⁸⁹,Long Yu⁵⁶⁷⁸⁹^ORCID,Zhou Pan-Pan⁵⁶⁷⁸⁹^ORCID,Yang Zhaoyong¹⁰¹¹¹²¹³¹⁴

Affiliation:

1. State Key Laboratory of Fluorine & Nitrogen Chemicals

2. Xi’an Modern Chemistry Research Institute

3. Xi’an

4. P. R. China

5. College of Chemistry and Chemical Engineering

6. Key Laboratory of Special Function Materials and Structure Design of Ministry of Education

7. Advanced Catalysis Center

8. Lanzhou University

9. Lanzhou

10. Key Laboratory of Biotechnology of Antibiotics

11. Ministry of Health, Institute of Medicinal Biotechnology

12. Chinese Academy of Medical Sciences (CAMS) and Peking Union Medical College(PUMC)

13. Beijing 100050

14. China

Abstract

The N–H⋯O hydrogen bonding between neighboring TATB molecules within a planar layer cooperates with π⋯π interaction between two adjacent molecules from two adjacent layers in the TATB crystal.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

National Key Research and Development Program of China

Chinese Academy of Medical Sciences

Natural Science Foundation of Gansu Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D1NJ00170A