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 …

Photophysical and photobiological properties of dinuclear iridium (III) bis-tridentate complexes

B Liu, S Monro, L Lystrom, CG Cameron… - Inorganic …, 2018 - ACS Publications
A series of cationic dinuclear iridium (III) complexes (Ir1–Ir5) bearing terpyridine-capped
fluorenyl bridging ligands and different polypyridyl or cyclometalating terminal tridentate …

Impact of benzannulation site at the diimine (N^ N) ligand on the excited-state properties and reverse saturable absorption of biscyclometalated iridium (III) complexes

B Liu, L Lystrom, SL Brown, EK Hobbie… - Inorganic …, 2019 - ACS Publications
Ten biscyclometalated monocationic Ir (III) complexes were synthesized and studied to
elucidate the effects of extending π-conjugation of the diimine ligand (N^ N= 2, 2 …

Photoinduced charge transfer versus fragmentation pathways in lanthanum cyclopentadienyl complexes

Y Han, Q Meng, B Rasulev, PS May… - Journal of Chemical …, 2017 - ACS Publications
This study compares two competing pathways of photoexcitations in gas-phase metal–
organic complexes: first, a sequence of phonon-assisted electronic transitions leading to …

Monocationic iridium (III) complexes with far‐red charge‐transfer absorption and near‐IR emission: synthesis, photophysics, and reverse saturable absorption

B Liu, L Lystrom, CG Cameron, S Kilina… - European Journal of …, 2019 - Wiley Online Library
The synthesis, photophysics, and reverse saturable absorption (RSA) of three monocationic
iridium (III) complexes (Ir1–Ir3) bearing diimine (N^ N) ligand with different degrees of π …

Metal-Determined Explosive Characteristics of M (NO3) 2 (1-AT) x of Thermal and Laser Ignition (M2+= Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+; x= 2 or 3)

S Bu, J Zhang, K Wang - Inorganic chemistry, 2024 - ACS Publications
Optical and thermal ignition are two common pathways to initiate the explosion of primary
explosives, where laser ignition is a more reliable and safer initiation method. Caused by the …

Nonadiabatic excited-state molecular dynamics for open-shell systems

Y Zhang, L Li, S Tretiak, T Nelson - Journal of Chemical Theory …, 2020 - ACS Publications
Nonadiabatic Molecular Dynamics (NAMD) of excited states has been widely used in the
simulation of photoinduced phenomena. However, the inability to treat bond breaking and …

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

J Yang, GD Zhang, JG Zhang, D Chen… - Physical Chemistry …, 2022 - pubs.rsc.org
In order to understand the relationship between laser initiation and charge transfer of metal
tetrazine complexes (MTCs), several sets of MTCs with different metals and ligands were …

[HTML][HTML] Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT study

AE Sifain, LF Tadesse, JA Bjorgaard… - The Journal of …, 2017 - pubs.aip.org
Conjugated energetic molecules (CEMs) are a class of explosives with high nitrogen content
that posses both enhanced safety and energetic performance properties and are ideal for …

Low-power laser ignition of an antenna-type secondary energetic copper complex: synthesis, characterization, evaluation, and ignition mechanism studies

D Shem-Tov, N Petrutik, MHH Wurzenberger… - Inorganic …, 2021 - ACS Publications
In recent years, development of new energetic compounds and formulations, suitable for
ignition with relatively low-power lasers, is a highly active and competitive field of research …