通过反冲框架协方差图谱成像确定多环芳烃二价阳离子和三价阳离子解离的动能。

The kinetic energy of PAH dication and trication dissociation determined by recoil-frame covariance map imaging.

作者信息

Lee Jason W L, Tikhonov Denis S, Allum Felix, Boll Rebecca, Chopra Pragya, Erk Benjamin, Gruet Sebastian, He Lanhai, Heathcote David, Kazemi Mehdi M, Lahl Jan, Lemmens Alexander K, Loru Donatella, Maclot Sylvain, Mason Robert, Müller Erland, Mullins Terry, Passow Christopher, Peschel Jasper, Ramm Daniel, Steber Amanda L, Bari Sadia, Brouard Mark, Burt Michael, Küpper Jochen, Eng-Johnsson Per, Rijs Anouk M, Rolles Daniel, Vallance Claire, Manschwetus Bastian, Schnell Melanie

机构信息

Deutsches Elektronen-Synchrotron DESY, Germany.

Department of Chemistry, University of Oxford, UK.

出版信息

Phys Chem Chem Phys. 2022 Oct 5;24(38):23096-23105. doi: 10.1039/d2cp02252d.

DOI:10.1039/d2cp02252d

PMID:35876592

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9533308/

Abstract

We investigated the dissociation of dications and trications of three polycyclic aromatic hydrocarbons (PAHs), fluorene, phenanthrene, and pyrene. PAHs are a family of molecules ubiquitous in space and involved in much of the chemistry of the interstellar medium. In our experiments, ions are formed by interaction with 30.3 nm extreme ultraviolet (XUV) photons, and their velocity map images are recorded using a PImMS2 multi-mass imaging sensor. Application of recoil-frame covariance analysis allows the total kinetic energy release (TKER) associated with multiple fragmentation channels to be determined to high precision, ranging 1.94-2.60 eV and 2.95-5.29 eV for the dications and trications, respectively. Experimental measurements are supported by Born-Oppenheimer molecular dynamics (BOMD) simulations.

摘要

我们研究了三种多环芳烃（PAH），芴、菲和芘的二价离子和三价离子的解离情况。多环芳烃是一类在太空中普遍存在且参与星际介质中许多化学反应的分子。在我们的实验中，离子通过与30.3纳米极紫外（XUV）光子相互作用形成，其速度映射图像使用PImMS2多质量成像传感器记录。应用反冲框架协方差分析能够高精度地确定与多个碎裂通道相关的总动能释放（TKER），二价离子的范围为1.94 - 2.60电子伏特，三价离子的范围为2.95 - 5.29电子伏特。实验测量得到了玻恩 - 奥本海默分子动力学（BOMD）模拟的支持。