期刊
TETRAHEDRON
卷 70, 期 50, 页码 9500-9505出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.tet.2014.10.067
关键词
Proton transfer; Alkyl cation transfer; Collision induced dissociation; Pyridyl carbamate; Ion-neutral complex; DFT calculation
资金
- National Natural Science Foundation of China [21317010, 21025207]
In the mass spectrometry of pyridyl carbamates, alkyl cation transfer is one of the major fragmentation reactions of the protonated molecules. Literature results and theoretical calculations indicate that the pyridine nitrogen is the most favorable site for protonation in these structures. Substituent and comparison experiments run to elucidate the fragmentation patterns reveal that the proton is localized at the pyridine nitrogen and the reaction center is charge-remote when the alkyl cation transfer occurs. The mechanism involving configuration inversion via an ion-neutral complex is favorable in energy for the alkyl cation transfer in these structures. (C) 2014 Elsevier Ltd. All rights reserved.
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