New perspectives on the laser initiation for metal tetrazine complexes: a theoretical study-Reference-Cited by-同舟云学术

New perspectives on the laser initiation for metal tetrazine complexes: a theoretical study

Published:2022 Issue:1 Volume:24 Page:305-312
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yang Junqing¹²^ORCID,Zhang Gu-Dan²,Zhang Jian-Guo²^ORCID,Chen Dong³,Zhang Qi³^ORCID

Affiliation:

1. School of Mechanical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China

2. State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, China

3. Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang, Sichuan, 621900, China

Abstract

MTCs with different metals and ligands were designed and their charge transfer (CT) characters were examined using a time-dependent DFT method and UV-vis spectra, hole–electron distribution, interfragment charge transition, and transition density matrix analyses.

Funder

National Natural Science Foundation of China

State Key Laboratory of Explosion Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP02319E

Reference33 articles.

1. Ultrafast Photodissociation Dynamics of Nitromethane

2. Photoactive High Explosives: Linear and Nonlinear Photochemistry of Petrin Tetrazine Chloride

3. Photoactive High Explosives: Substituents Effects on Tetrazine Photochemistry and Photophysics

4. Two-Photon Absorption in Conjugated Energetic Molecules

5. s-Tetrazines as Building Blocks for New Functional Molecules and Molecular Materials

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