• 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 >Ultraviolet photofragmentation spectroscopy of alkaline earth dication complexes with pyridine and 4-picoline (4-methyl pyridine)
【24h】

Ultraviolet photofragmentation spectroscopy of alkaline earth dication complexes with pyridine and 4-picoline (4-methyl pyridine)

机译：吡啶和4-甲基吡啶（4-甲基吡啶）与碱土金属配合物的紫外光碎裂光谱

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

A detailed experimental and theoretical study has been undertaken of the UV photofragmentation spectroscopy of the alkaline earth metal dications Mg ~(2+), Ca~(2+), and Sr~(2+) complexed with pyridine and 4-methyl pyridine (4-picoline). The ion complexes have been prepared using the pick-up technique and held in an ion trap where their internal temperature has been reduced to <150 K. Exposure of the trapped ions to tunable UV laser radiation leads to the appearance of photofragments with intensities that show significant variation as a function of wavelength. For all three metal dications, the resultant spectra show evidence of resolved features. Time-dependent density functional theory (TDDFT) has been used to identify possible electronic transitions that might be present in the [M(pyridine) _4]~(2+) complexes (M = Mg, Ca, and Sr) within the wavelength range studied. These calculations show that the spectra are dominated by strong π* ← π and weaker π* ← n transitions localized on the pyridine ligands. The calculations correctly identify those regions of the experimental spectra where UV transitions begin to occur in the complexes and also the wavelengths at which absorption maxima are reached; however, more subtle features of the spectra are difficult to assign with confidence.
机译：已对与吡啶和4-甲基吡啶络合的碱土金属指示剂Mg〜（2 +），Ca〜（2+）和Sr〜（2+）的紫外光裂解光谱进行了详细的实验和理论研究。 4-picoline）。离子络合物是使用拾取技术制备的，并保存在离子阱中，离子阱的内部温度已降至<150K。捕获的离子暴露于可调谐的UV激光辐射下会导致光碎片的强度达到波长的显着变化。对于所有三种金属指示剂，所得光谱均显示出已分辨特征的证据。依赖于时间的密度泛函理论（TDDFT）已被用于确定在波长范围内[M（吡啶）_4]〜（2+）配合物（M = Mg，Ca和Sr）中可能存在的可能的电子跃迁研究。这些计算表明，光谱以吡啶配体上的强π*←π和弱π*←n跃迁为主。计算正确地确定了实验光谱中在配合物中开始发生紫外线跃迁的区域，以及达到吸收最大值的波长。然而，光谱的更多细微特征很难确定。

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