CrN,CuB和AuB:两个解离极限的故事
Dakota M Merriles1, Michael D Morse1
1Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, United States.
The journal of physical chemistry letters
|August 11, 2023
概括
某些含有金属的分子,如CrN,CuB和AuB,在基本状态极限时出乎意料地抵抗解离. 它们的键只在激发状态极限时破裂,允许进行新的键解离能 (BDE) 测量.
科学领域:
- 物理化学 物理化学
- 频谱学是一种光谱学.
- 量子力学就是量子力学.
背景情况:
- 预分离值通常在含金属分子的基态分离原子极限 (SALs) 中观察到.
- 在d-和f-块金属分子中,密集的电子状态促进了对解离路径的合.
研究的目的:
- 为了研究CrN,CuB和AuB分子的异常分离行为.
- 为了确定这些和相关分子的准确键解离能 (BDE).
主要方法:
- 高分辨率光谱分析以确定预分离值.
- 使用激发状态分离原子极限 (SALs) 测量精确的键解离能 (BDE).
主要成果:
- CrN,CuB和AuB在激发的SAL中表现出解离,而不是地面的SAL,超过它们预期的债券解离能 (BDE).
- 确定了新的BDE:D0 ((CrN) = 3.941 ((22) eV,D0 ((CuB) = 2.26 ((15) eV,D0 ((Au11B) = 3.724 ((3) eV.
- 对AlCr的BDE被修订为D0(AlCr) = 1.32(2) eV,表明在更高的能量极限处的解离.
结论:
- 这项研究揭示了特定含金属分子中的异常分离行为.
- 激发SALs提供了一种可靠的方法来确定BDE,即使在没有观察到地面SAL解离的情况下.
- 了解这些解离路径,可以了解分子结合和稳定性.
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