期刊
JOURNAL OF CHEMICAL PHYSICS
卷 139, 期 7, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4818729
关键词
-
资金
- Universita di Roma La Sapienza
- European Union [IC010-03]
beta-trimethylsilyl-2-propyl cation has been formed by the gas phase protonation of allyltrimethylsilane and characterized by infrared multiple photon dissociation spectroscopy. The experimental C-beta-C-alpha(+) stretching feature at 1586 cm(-1), remarkably blue-shifted with respect to a C-C single bond stretching mode, is indicative of high double bond character, a signature of beta-stabilizing effect due to hyperconjugation of the trimethylsilyl group in the beta-position with respect to the positively charged carbon. Density functional theory calculations at the B3LYP/6-311++G(2df,2p) level yield the optimized geometries and IR spectra for candidate isomeric cations and for neutral and charged reference species. (C) 2013 AIP Publishing LLC.
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