Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials

TR Nelson, AJ White, JA Bjorgaard, AE Sifain… - Chemical …, 2020 - ACS Publications
Optically active molecular materials, such as organic conjugated polymers and biological
systems, are characterized by strong coupling between electronic and vibrational degrees of …

Energetic materials based on poly furazan and furoxan structures

J Zhang, J Zhou, F Bi, B Wang - Chinese Chemical Letters, 2020 - Elsevier
Furazan and furoxan represent fascinating explosophoric units with intriguing structures and
unique properties. Compared with other nitrogen-rich heterocycles, most poly furazan and …

A green metal-free fused-ring initiating substance

M Deng, Y Feng, W Zhang, X Qi, Q Zhang - Nature Communications, 2019 - nature.com
Over the past century, the search for lead-free, environmentally friendly initiating substances
has been a highly challenging task in the field of energetic materials. Here, an organic …

A promising perovskite primary explosive

Y Feng, J Zhang, W Cao, J Zhang… - Nature …, 2023 - nature.com
A primary explosive is an ideal chemical substance for performing ignition in military and
commercial applications. For over 150 years, nearly all of the developed primary explosives …

Azido and Tetrazolo 1, 2, 4, 5‐Tetrazine N‐Oxides

DE Chavez, DA Parrish, L Mitchell… - Angewandte Chemie …, 2017 - Wiley Online Library
This study presents the synthesis and characterization of the oxidation products of 3, 6‐
diazido‐1, 2, 4, 5‐tetrazine (1) and 6‐amino‐[1, 5‐b] tetrazolo‐1, 2, 4, 5‐tetrazine (2). 3, 6 …

Portable and reliable surface-enhanced Raman scattering silicon chip for signal-on detection of trace trinitrotoluene explosive in real systems

N Chen, P Ding, Y Shi, T Jin, Y Su, H Wang… - Analytical …, 2017 - ACS Publications
There is an increasing interest in the development of surface-enhanced Raman scattering
(SERS) sensors for rapid and accurate on-site detection of hidden explosives. However …

Core‐shell hetero‐framework derived copper azide composites as excellent laser‐ignitable primary explosives

C Wang, HM Guo, R Pang, WW Ren… - Advanced Functional …, 2022 - Wiley Online Library
Laser initiation has attracted increasing interest owing to its extraordinary safety and high
reliability. However, traditional metal complex‐based laser‐ignitable primary explosives are …

Hydrogen bond and 3D frameworks to reconcile the conflict between safety and detonation performance in energetic metal–organic frameworks

J Zhang, Z Guo, Y Song, W Hao, R Peng… - Chemical Engineering …, 2023 - Elsevier
Energetic metal–organic frameworks (EMOFs), which combine energetic ligands with metal
ions, hold promise as novel energetic materials to balance the sensitivity and safety of …

Co-operation between multidentate ligand and inorganic salts: preparation of solvent-free primary explosives based on 4-amino-1, 2, 5-oxadiazole-3-carbohydrazide

T Wang, S Bu, K Wang, L Zhang, Z Yi, C Zhang… - Chemical Engineering …, 2023 - Elsevier
Using the furazan skeleton and hydrazide group with coordination potentiality as targets, the
ligand 4-Amino-1, 2, 5-oxadiazole-3-carbohydrazide (AOCA, 4) with multiple coordination …

Nitratoethyl-5 H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds

MS Gruhne, T Lenz, M Rösch, M Lommel… - Dalton …, 2021 - pubs.rsc.org
1-and 2-Nitratoethyl-5H-tetrazole (1-NET and 2-NET) were prepared through nitration of the
respective alkyl alcohol using 100% nitric acid. A mixture of 1-and 2-hydroxyethyl-5H …