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研究亚硝酰氯(ClNO)的芯激发态及其在后Auger 衰变过程中的断裂动力学。

Investigating core-excited states of nitrosyl chloride (ClNO) and their break-up dynamics following Auger decay.

机构信息

FREIA Laboratory, Department of Physics and Astronomy, Uppsala University, 751 20 Uppsala, Sweden.

IOM-CNR Tasc, SS-14, Km 163.5 Area Science Park, Basovizza, I-34149 Trieste, Italy.

出版信息

J Chem Phys. 2018 Oct 28;149(16):164305. doi: 10.1063/1.5047262.

Abstract

The fragmentation of ClNO upon resonant core-electron excitation to the LUMO and LUMO+1 orbitals at the N and O -edges is investigated. The produced fragment ions were detected in coincidence with a position sensitive ion time-of-flight detector which enables deduction of the angular distribution of the ions. This facilitates a comparison between the two resonances and the two -edges with respect to fragmentation time, transition dipole moment orientation, fragment yield of single-ion and ion-pair channels, and fragmentation mechanisms. We observe significant correlations between the core-excited site and the location of the bonds that are broken, as well as the dissociation time. Moreover, we observe preferential cleavage of specific bonds upon excitation to the LUMO and LUMO+1 states which can be attributed to their orbital character.

摘要

研究了 ClNO 在 N 和 O 边缘的 LUMO 和 LUMO+1 轨道上的共振芯电子激发时的碎片化。使用位置灵敏的离子飞行时间探测器检测到产生的碎片离子,该探测器可以推断出离子的角分布。这便于比较两个共振和两个边缘的碎片时间、跃迁偶极矩方向、单离子和离子对通道的碎片产率以及碎片机制。我们观察到核心激发位置与断裂键的位置以及离解时间之间存在显著相关性。此外,我们观察到在激发到 LUMO 和 LUMO+1 态时,特定键的优先断裂,这可以归因于它们的轨道特征。

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