激发的状态动态的二西欧芬衍生品的动态
Cameron A Griffith1, Sarah E Krul1, Sean J Hoehn1
1Department of Chemistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, Ohio 44106, United States.
The journal of physical chemistry. B
|June 22, 2023
概括
多环芳硫异环环,环境污染物,经历快速放松. 有效的系统间交叉主导着它们的兴奋状态动态,导致高的三重产量.
科学领域:
- 环境化学环境化学
- 摄影化学的使用.
- 计算化学的计算化学
背景情况:
- 多环芳硫异环环 (PASH) 是一种持续性环境污染物.
- 它们是由不完全燃烧和石油泄漏形成的,对生态构成风险.
- 了解PASHs的兴奋状态动态对于评估它们的环境命运至关重要.
研究的目的:
- 为了阐明三种二西奥衍生物的兴奋状态放松机制.
- 调查单元和三元状态在PASH光物理中的作用.
- 为了确定这些化合物的系统间交叉和光效率.
主要方法:
- 五秒秒短暂吸收光谱法
- 稳态光谱学 (稳态吸收和排放)
- 计算化学方法 (包括内部坐标的线性插值)
主要成果:
- 在320nm处的激发会使S1状态充满 ππ* 字符.
- 单元状态放松发生在413PS内.
- 观察到有效的系统间穿越到三重状态,寿命为820900 ps.
- 确定了微不足道的非辐射内部转换和低光率 (1.21.6%).
- 三胞胎产量约为98% . 三胞胎产量约为98% .
结论:
- 迪索衍生物表现出高效的系统间交叉作为主要的放松途径.
- π-芳香系统有助于旋转禁止的系统间交叉.
- 尽管它们具有污染物地位,但高的三倍产量表明它们在光化学或光物理领域的潜在应用.
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