Pressure-dependent structure and electronic properties of energetic NTO crystals dominated by hydrogen-bonding interactions-Reference-Cited by-同舟云学术

Pressure-dependent structure and electronic properties of energetic NTO crystals dominated by hydrogen-bonding interactions

Published:2023 Issue:20 Volume:25 Page:14359-14367
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fan Junyu¹²^ORCID,Wang Pengju³⁴,Gao Nan⁵^ORCID

Affiliation:

1. Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China

2. Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China

3. Zhejiang Laboratory, Hangzhou 311100, China

4. Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian, 116024, China

5. School of Materials Science and Engineering, Taizhou University, Taizhou 318000, China

Abstract

High-pressure Raman and IR spectra reveal a potential structural transition of NTO dominated by hydrogen-bonding interactions, and the shrinkage of the band gap is associated with the fast charge transfer from the nitrogen heterocycle to the nitro group.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shanxi Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01518A

Reference52 articles.

1. Advances in science and technology of modern energetic materials: An overview

2. A review of energetic materials synthesis

3. Review of the molecular and crystal correlations on sensitivities of energetic materials

4. Chemistry under high pressure

5. 21st century developments in the understanding and control of molecular solids

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