• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Off to the Races: Comparison of Excited State Dynamics in Vitamin B-12 Derivatives Hydroxocobalamin and Aquocobalamin
【24h】

Off to the Races: Comparison of Excited State Dynamics in Vitamin B-12 Derivatives Hydroxocobalamin and Aquocobalamin

机译：偏离比赛：在维生素B-12衍生物氢氧胺素和水桶胺中的激发状态动态比较

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Ultrafast time-resolved spectroscopy was used to study the photochemistry of hydroxocobalamin (HOCbl) and aquocobalamin (H(2)OCbl(+)) in solution. Spectroscopic measurements and TD-DFT simulations provide a consistent picture of the spectroscopy and photochemistry. Excitation of H(2)OCbl(+) results in formation of an excited state followed by rapid internal conversion to the ground state (0.35 +/- 0.15 ps) through an S-1/S-0 seam at a slightly elongated Co-O bond length and a significantly elongated Co-N-Im bond length. In contrast, the initial elongation of the axial bonds in HOCbl is followed by contraction to an excited state minimum with bonds slightly shorter than those in the ground state. Internal conversion to the ground state follows on a picosecond time scale (5.3 +/- 0.4 ps). For both compounds, photodissociation forming cob(II)alamin and hydroxyl radicals (similar to 1.5% yield) requires excitation to highly excited states. Dissociation is mediated by competition between internal conversion to the S-1 surface and prompt bond cleavage.
机译：使用超快时间分辨光谱研究溶液中羟桶胺（Hocbl）和水性钴胺（Hocbl）和水性钴胺（H（2）OCBL（+））的光化学。光谱测量和TD-DFT仿真提供了光谱学和光化学的一致图。 H（2）OCBL（+）的激发导致形成激发态，然后通过S-1 / S-0接缝快速内部转换，通过S-1 / S-0接缝在略微伸长的共同中O键长和显着细长的CO-N- IM键长。相反，Hocbl中的轴向键的初始伸长率随后与激发的状态最小收缩，粘合略短于地面状态。对地面状态的内部转换在Pic秒时尺度（5.3 +/- 0.4 ps）上遵循。对于两种化合物，光度切换形成玉米蟹（II）alamin和羟基自由基（类似于1.5％收率）需要激发高度激发的状态。解离是通过内部转化与S-1表面之间的竞争介导的介导的，并及时粘合。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号