在甲-1,2-二碳酸盐单离子中的键对称性的可变温度研究,在甲-d中
Charles L Perrin1, Kathryn D Burke
1Department of Chemistry, University of California-San Diego , La Jolla, California 92093-0358, United States.
Journal of the American Chemical Society
|February 18, 2014
概括
研究了环素-1,2-二碳酸盐单离子中的键对称性. 结果表明它存在于快速相互转换的复合体的混合物中,而不是单一的对称结构.
科学领域:
- 有机化学 有机化学
- 物理化学 物理化学
- 频谱学是一种光谱学.
背景情况:
- 了解键对称性对于化学结合至关重要.
- 环素-1,2-二碳酸盐单离子为研究复合体的模型系统提供了一个模型.
研究的目的:
- 为了确定环-1,2-二碳酸盐单离子中键的对称性.
- 为了研究同位素扰动效应的取决于温度的行为.
主要方法:
- 使用了核磁共振 (NMR) 光谱学.
- 使用氧-18 ((18) O) 的同位素扰动被用来探测化学变化.
- 实验是在酸盐中进行的.
主要成果:
- 温度下降导致加剧了 (18) O诱导的 (13) C 化学转移分离,既发生在 carboxyl 碳和 ipso 碳上.
- 观测到的ipso碳的增加与 (18) O同位素对碳酸酸度的影响一致.
结论:
- 环素-1,2-二碳酸盐单离子存在于快速平衡中的 tautomers 混合物中.
- 观察到的温度依赖与具有特定振动合机制的单一对称结构相矛盾.
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