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Vacuum ultraviolet photoionization mass spectrometric study of ethylenediamine.

作者信息

Wei Lixia, Yang Bin, Wang Jing, Huang Chaoqun, Sheng Liusi, Zhang Yunwu, Qi Fei, Lam Chow-Shing, Li Wai-Kee

机构信息

National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, P. R. China.

出版信息

J Phys Chem A. 2006 Jul 27;110(29):9089-98. doi: 10.1021/jp061876g.

Abstract

The photoionization and dissociative photoionizations of ethylenediamine have been studied both experimentally and theoretically. In experiments, photoionization efficiency spectra for ions NH(2)CHCH(3)(+), NH(2)CH=CH(2)(+), CH(2)NH(2)(+), NH(3)(+), NH(2)CH(2)CHNH(2)(+) and NH(2)CH(2)CH(2)NH(2)(+) have been obtained. In addition, the energetics of the dissociative photoionization is investigated with ab initio Gaussian-3 (G3) calculations. The computational results are useful in analyzing the dissociation channels near the ionization thresholds. With the help of the G3 results, the dissociation channels for the formation of the aforementioned fragment ions have been established.

摘要

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