The Degradation of the 2-Hydroxyethylhydrazinium Nitrate Ionic Liquid System.
| Autor: | Elliott GM; Department of Chemistry, Iowa State University and Ames National Laboratory, Ames, Iowa 50014, United States., Boatz JA; Aerospace Systems Directorate, Air Force Research Laboratory, Edwards Air Force Base, California 93524, United States., Gordon MS; Department of Chemistry, Iowa State University and Ames National Laboratory, Ames, Iowa 50014, United States. |
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| Jazyk: | angličtina |
| Zdroj: | The journal of physical chemistry. A [J Phys Chem A] 2024 Oct 17; Vol. 128 (41), pp. 8845-8855. Date of Electronic Publication: 2024 Oct 04. |
| DOI: | 10.1021/acs.jpca.4c03190 |
| Abstrakt: | The mechanism by which the 2-hydroxyethylhydrazinium nitrate (HEHN) ionic liquid (IL) dissociates via the formation and loss of nitric acid is investigated utilizing the effective fragment potential (EFP) method and various ab initio methods. Additionally, the interactions that dictate the stability of the HEHN IL and contribute to the formation of nitric acid are further assessed using the quasi-atomic orbital (QUAO) bonding analysis. From this work, it is suggested that the formation of nitric acid is dictated by the presence of hydrogen-bonding interactions which appear to become increasingly ionic in nature as the system approaches the bulk, limiting the formation of nitric acid. |
| Databáze: | MEDLINE |
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