期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 114, 期 4, 页码 1756-1765出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp9097364
关键词
-
资金
- U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences
- U.S. National Science Foundation [CHE-0749496]
- DOE's Office of Biological and Environmental Research
- National Natural Science Foundation of China [20528303]
- National Basic Research Program of China [2007CB815203]
- Alexander von Humboldt Foundation
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1036387, 0749496] Funding Source: National Science Foundation
A photoelectron spectroscopy investigation of the fluorofullerene anions C60Fn- (n = 17, 31, 35, 43, 45, 47) and the doubly charged anions C60F342- and C60F462- is reported. The first electron affinities for the corresponding neutral molecules, C60Fn, were directly measured and were found to increase as n increased, reaching the extremely high value of 5.66 +/- 0.10 eV for C60F47. Density functional calculations suggest that the experimentally observed species C60F17-, C60F35-, and C60F47- were each formed by reductive defluorination of the parent fluorofullerene, C-3n-C60F18, C60F36 (a mixture of isomers), and D-3-C60F48, respectively, without rearrangement of the remaining fluorine atoms. The DFT-predicted stability of C60F47- was verified by its generation by chemical reduction from D-3-C60F48 in chloroform solution at 25 degrees C and its characterization by mass spectrometry and F-19 NMR spectroscopy. Further reductive defluorination of C60F47- in solution resulted in the selective generation of a new fluorofullerene, D-2-C60F44, which was also characterized by mass spectrometry and F-19 NMR spectroscopy.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据