在水溶液中从S-Nitroso-Mercaptoethanol中NO释放和结合异构体形成的动力学:从Femtosecond红外光谱学的见解
Hojeong Yoon1, Seongchul Park1,2, So Yeon Kim3
1Department of Chemistry and Chemistry Institute for Functional Materials, Pusan National University, Busan 46241, Korea.
The journal of physical chemistry letters
|August 21, 2024
概括
研究人员研究了S-nitroso-thiol (RSNO) 分子在暴露于光线后如何分解和重组. 他们发现了一种新的硫-ON链接异构体,并将其快速异构化回到水中的原始RSNO.
科学领域:
- 摄影化学的使用.
- 化学动力学 化学动力学
- 频谱学是一种光谱学.
背景情况:
- 酸二醇 (RSNO) 是重要的生物NO运输体.
- 了解RSNO光动力学是光化学应用的关键.
研究的目的:
- 在水溶液中研究S-nitroso-mercaptoethanol (MceSNO) 的光刺激动力学.
- 描述NO分离,重组和链接等离合途径.
主要方法:
- 五秒红外光谱学 五秒红外光谱学
- 高级量子计算 (CASPT2D(16,11)/cc-pVTZ) 的一个例子.
- 潜在能量的表面建设.
主要成果:
- 320纳米激发MceSNO导致NO和MceS激素的快速解离.
- MceS基形成MceSSMce (31%) 或与NO (70%) 重组.
- 一种新型的硫-ON连接同位素 (MceSON) 形成 (28%) 并在约470 ps.回归到MceSNO.
结论:
- 这项研究阐明了MceSNO在水中的复杂光动力学.
- 确定了一种新的MceSON异构体及其异构化途径.
- 低异构化障碍 (3.3 kcal/mol) 表明易于相互转换.
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