{"id":391,"date":"2024-08-15T23:00:01","date_gmt":"2024-08-15T14:00:01","guid":{"rendered":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/?p=391"},"modified":"2025-06-26T23:05:10","modified_gmt":"2025-06-26T14:05:10","slug":"%e6%97%a5%e6%9c%ac%e7%87%83%e7%84%bc%e5%ad%a6%e4%bc%9a%e8%aa%8c%e3%81%ab%e8%ab%96%e6%96%87%e3%81%8c%e6%8e%b2%e8%bc%89","status":"publish","type":"post","link":"https:\/\/www-p.sci.ocha.ac.jp\/kuroki-lab\/2024\/08\/15\/%e6%97%a5%e6%9c%ac%e7%87%83%e7%84%bc%e5%ad%a6%e4%bc%9a%e8%aa%8c%e3%81%ab%e8%ab%96%e6%96%87%e3%81%8c%e6%8e%b2%e8%bc%89\/","title":{"rendered":"\u65e5\u672c\u71c3\u713c\u5b66\u4f1a\u8a8c\u306b\u8ad6\u6587\u304c\u63b2\u8f09\u3055\u308c\u307e\u3057\u305f"},"content":{"rendered":"

\u91ce\u4e0a\u7530\u3055\u3093(\u4e2d\u592e\u5927\u5b66M2, \u73fe:\u540cD1)\u306e\u7814\u7a76\u6210\u679c\u304c\u3001\u65e5\u672c\u71c3\u713c\u5b66\u4f1a\u8a8c\u306b\u63b2\u8f09\u3055\u308c\u307e\u3057\u305f\u3002<\/p>\n

\u7db2\u7f85\u7684\u306a\u53cd\u5fdc\u7d4c\u8def\u63a2\u7d22\u3068\u96fb\u5b50\u72b6\u614b\u89e3\u6790\u306b\u3088\u308a\u3001\u4eba\u5de5\u885b\u661f\u3084\u5b87\u5b99\u63a2\u7d22\u6a5f\u7528\u30b9\u30e9\u30b9\u30bf\u306e\u71c3\u6599\u3068\u3057\u3066\u6d3b\u7528\u304c\u671f\u5f85\u3055\u308c\u308b\u300c\u30cf\u30a4\u30d1\u30fc\u30b4\u30ea\u30c3\u30af\u30a4\u30aa\u30f3\u6db2\u4f53\u300d\u306b\u5bfe\u3059\u308b\u30a2\u30cb\u30aa\u30f3\u52b9\u679c\u3092\u691c\u8a0e\u3057\u307e\u3057\u305f\u3002<\/p>\n

 <\/p>\n

Journal of the Combustion Society of Japan<\/h4>\n

\u30cf\u30a4\u30d1\u30fc\u30b4\u30ea\u30c3\u30af\u30a4\u30aa\u30f3\u6db2\u4f53\u306e\u53cd\u5fdc\u7d4c\u8def\u306b\u5bfe\u3059\u308b\u30a2\u30cb\u30aa\u30f3\u96fb\u5b50\u72b6\u614b\u306e\u5f71\u97ff<\/strong><\/p>\n

\u91ce\u4e0a\u7530 \u5149\u7e54, \u9ed2\u6728 \u83dc\u4fdd\u5b50, \u68ee \u5bdb\u654f*
\n\u65e5\u672c\u71c3\u713c\u5b66\u4f1a\u8a8c<\/em>\u00a066<\/strong>, 217, 199\u2013202 (2024.8.15).
\nDOI:\u00a010.20619\/jcombsj.2402<\/a><\/p>\n

Hypergolic ionic liquids (HILs), spontaneous ignition upon contact with an oxidizer, are expected to be non-toxic rocket fuels replacing hydrazine. Designing and tuning ILs while understanding reaction mechanisms at the molecular level is mandatory for their applications. This study comprehensively explored a set of reactions for an anion [N(CN)2<\/sub>]–<\/sup> or [BH2<\/sub>(CN)2<\/sub>]–<\/sup>, reported to be a component of HILs, with HNO3<\/sub> using the quantum chemical Artificial Force Induced Reaction (AFIR) method. For both cases, electrostatic interactions between HNO3<\/sub> and anions via protons have triggered the reactions. However, the pathways after the formation of hydrogen-bonded complexes were found to be quite different from each other despite the similarity of the anion structures. Specifically, nucleophilic attack by NO3<\/sub>–<\/sup> was observed for [N(CN)2<\/sub>]–<\/sup>, but not for [BH2<\/sub>(CN)2<\/sub>]–<\/sup>. These differences were explained by the natural resonance theory (NRT); that is, the charge distributions of the anions governed the reaction pathways. A set of energy diagrams and electronic structure analyses is necessary to understand hypergolicity.<\/p><\/blockquote>\n","protected":false},"excerpt":{"rendered":"

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