期刊
MOLECULES
卷 28, 期 14, 页码 -出版社
MDPI
DOI: 10.3390/molecules28145510
关键词
adamantane; inner-shell fragmentation; site-selectivity; AE-PICO/PIPICO coincidence
This study investigates the impact of excitations at different carbon sites on the fragmentation dynamics of adamantane, revealing that distinct site excitations lead to unique cage opening mechanisms.
Adamantane, the smallest diamondoid molecule with a symmetrical cage, contains two distinct carbon sites, CH and CH2. The ionization/excitation of the molecule leads to the cage opening and strong structural reorganization. While theoretical predictions suggest that the carbon site CH primarily causes the cage opening, the role of the other CH2 site remains unclear. In this study, we used advanced experimental Auger electron-ion coincidence techniques and theoretical calculations to investigate the fragmentation dynamics of adamantane after resonant inner-shell photoexcitation. Our results demonstrate that some fragmentation channels exhibit site-sensitivity of the initial core-hole location, indicating that different carbon site excitations could lead to unique cage opening mechanisms.
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