矩阵形成的动态决定了甲基化的符合性丰度和丰度.
Emily K Hockey1, Nathan McLane2, Korina Vlahos1
1Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742, USA.
The Journal of chemical physics
|March 4, 2024
概括
甲基化物 (CH3ONO) 的构造丰度在沉积在冷基板上时发生变化,这与气相预期相反. 增长矩阵的表面特性会影响符合器的捕获,有利于cis同位素.
科学领域:
- 物理化学 物理化学
- 频谱学是一种光谱学.
- 量子化学 是一个量子化学.
背景情况:
- 甲基化物 (CH3ONO) 存在于两个稳定适配体:cis和trans.
- cis和trans甲基化物之间的相互转换受到高旋转屏障的阻碍.
- 矩阵隔离的符合性丰度通常被认为反映了气相群体.
研究的目的:
- 调查沉积条件对甲基亚酸盐符合丰度的影响.
- 为了确定矩阵表面属性是否会影响合规群体.
- 挑战矩阵隔离的符合性丰度反映气相丰度的假设.
主要方法:
- 在现场红外光谱测量符合丰度.
- 甲基亚酸盐沉积在冷基板上,其浴气体 (N2,Ar,Xe) 和角度各不相同.
- 对CH3ONO-浴气复合体的结合能量的量子化学计算.
主要成果:
- 与其气相群体相比,在沉积时,cis甲基化的相对丰度会增加.
- 符合的丰度随着浴气和沉积角度的身份而变化.
- 在1:1的CH3ONO与N2,Ar或Xe的复合物中没有发现显著的能量稳定.
结论:
- 不断增长的矩阵表面显著影响了甲基化物合物的捕获.
- cis 调整器优先被困,这可能是由于其更紧的结构.
- 在矩阵隔离系统中仔细表征对象是至关重要的,需要进一步研究沉积动力学和表面结构.
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