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乙炔二阳离子部分碎裂途径的研究:理论与实验。

A study of selected fragmentation paths of the ethyne dication: theory and experiment.

机构信息

CNR-IMIP, Istituto di Metodologie Inorganiche e dei Plasmi, Area della Ricerca di Roma 1, via Salaria km 29.300, CP10 00016, Monterotondo Scalo (RM), Italy.

出版信息

Phys Chem Chem Phys. 2011 Nov 21;13(43):19607-14. doi: 10.1039/c1cp22434d. Epub 2011 Oct 12.

Abstract

The fragmentation of the C(2)H(2)(2+) dication, formed upon inner shell ionization and the subsequent Auger decay, has been studied by means of Auger electron-ion and Auger electron-ion-ion coincidence spectroscopy at four different kinetic energies of the Auger electron. The experimental investigation of three fragmentation paths leading to the C(2)H(+)/H(+), C(2)(+)/H(+) and C(+)/H(+) pairs has been complemented by theoretical calculations of the Potential Energy Surfaces (PES). It is found that when the amount of internal energy of the dication increases this is mainly transferred into the kinetic energy of the fragments of the second step of the dissociation.

摘要

C(2)H(2)(2+) 二价阳离子的碎裂,是在内壳层电离和随后的俄歇衰变过程中形成的,通过在四个不同的俄歇电子动能下,采用俄歇电子-离子和俄歇电子-离子-离子符合光谱学的方法对其进行了研究。通过对势能面(PES)的理论计算,补充了对导致 C(2)H(+)/H(+)、C(2)(+)/H(+) 和 C(+)/H(+) 对的三条碎裂途径的实验研究。结果发现,当二价阳离子的内部能量增加时,这主要转化为第二步离解的碎片的动能。

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