5-Amino-1,2,4-triazol-3-one Degradation by Indirect Photolysis: A Density Functional Theory Study-Reference-Cited by-同舟云学术

5-Amino-1,2,4-triazol-3-one Degradation by Indirect Photolysis: A Density Functional Theory Study

Published:2024-07-29 Issue:33 Volume:128 Page:6825-6833
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sviatenko Liudmyla K.¹^ORCID,Gorb Leonid²³^ORCID,Leszczynski Jerzy¹^ORCID

Affiliation:

1. Department of Chemistry, Physics & Atmospheric Sciences, Jackson State University, Jackson, Mississippi 39217, United States

2. Institute of Molecular Biology and Genetics, NAS of Ukraine, 150 Zabolotny Str., Kyiv 03143, Ukraine

3. QSAR Lab Sp. z o.o. Trzy Lipy 3, B, Gdansk 80-172, Poland

Funder

Army Research Office

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c02298

Reference45 articles.

1. Spear, R. J., Louey, C. N., Wolfson, M. G. A preliminary assessment of 3-nitro-1,2,4-triazol-5-one (NTO) as an insensitive high explosive. 1989. https://apps.dtic.mil/sti/citations/tr/ADA215063/ (accessed Jun 1, 1989).

2. Arnold, W. A.; Berens, M. J.; Tong, Y.; Strehlau, J. H.; Hofstetter, T. B.; Ulrich, B. A. Compound specific isotope analysis of mineral-mediated abiotic reduction of nitro compounds; SERDP Project ER-2618. 2021. https://apps.dtic.mil/sti/citations/trecms/AD1154363/ (accessed Apr 21, 2021).

3. Abiotic reduction of insensitive munition compounds by sulfate green rust

4. Field, J. A.; Chorover, J.; Sierra-Alvarez, R.; Abrell, L.; Coffey II, J. Interaction of microbial & abiotic processes in soil leading to the (bio)conversion and ultimate attenuation of new insensitive munitions compounds; SERDP Project ER-2221. 2017. https://apps.dtic.mil/sti/citations/AD1048875/ (accessed Dec 30, 2016).

5. Synthesis of 5-Amino-1,2,4-Triazole-3-One Through the Nitroreduction of 5-Nitro-1,2,4-Triazole-3-One. Comparison Between Chemical and Microbiological Catalysis