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五聚甘油四硝酸酯的电子离解:在接近 0 电子伏特时发生显著的碎裂。

Dissociative electron attachment to pentaerythritol tetranitrate: significant fragmentation near 0 eV.

机构信息

Institut für Ionenphysik and Angewandte Physik and Center of Molecular Biosciences Innsbruck, Universität Innsbruck, Technikerstrasse 25, A-6020 Innsbruck, Austria.

出版信息

J Chem Phys. 2010 Apr 7;132(13):134305. doi: 10.1063/1.3386386.

Abstract

Gas phase dissociative electron attachment (DEA) measurements to pentaerythritol tetranitrate (PETN) are performed in a crossed electron-molecular beam experiment at high-energy resolution and high sensitivity. DEA is operative at very low energies close to approximately 0 eV showing unique features corresponding to a variety of fragment anions being formed. There is no evidence of the parent anion formation. The fragmentation yields are also observed for higher electron energies and are operative via several resonant features in the range of 0-12 eV. In contrast to nitroaromatic compounds, PETN decays more rapidly upon electron attachment and preferentially low-mass anions are formed. The dominant fragment ion formed through DEA is assigned to the nitrogen trioxide NO(3)(-) and represents about 80% of the total anion yield. Further intense ion signals are due to NO(2)(-) (11%) and O(-) (2.5%). The significant instability of PETN after attachment of an electron with virtually no kinetic energy confers a highly explosive nature to this compound.

摘要

在高能量分辨率和高灵敏度的交叉电子-分子束实验中,对季戊四醇四硝酸酯(PETN)进行气相离解电子俘获(DEA)测量。DEA 在非常接近 0 eV 的低能量下起作用,显示出与形成各种碎片阴离子相对应的独特特征。没有母体阴离子形成的证据。对于更高的电子能量,也观察到了碎片产率,并且通过 0-12 eV 范围内的几个共振特征起作用。与硝基芳烃化合物相比,PETN 在电子俘获后更迅速地衰减,并优先形成低质量的阴离子。通过 DEA 形成的主要碎片离子被分配给三氧化氮 NO(3)(-),占总阴离子产率的约 80%。进一步强烈的离子信号归因于 NO(2)(-)(11%)和 O(-)(2.5%)。在几乎没有动能的电子附着后,PETN 的显著不稳定性赋予了该化合物高度爆炸性的性质。

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