The rotational dependence of the Renner-Teller interaction: a new term in the effective Hamiltonian for linear triatomic molecules in Π electronic states
The rotational dependence of the Renner-Teller interaction: a new term in the effective Hamiltonian for linear triatomic molecules in Π electronic states
复制标题
Renner-Teller 相互作用的旋转依赖性：Π 电子态线性三原子分子的有效哈密顿量中的新术语
DOI：
10.1080/00268970310001645864
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发表时间：
2003
影响因子：
1.7
通讯作者：
John M. Brown
中科院分区：
文献类型：
--
作者：
John M. Brown
本文导出了2S+1Π态分子在小Renner-Teller效应作用下的有效哈密顿量中的一个附加项。它采用Renner-Teller算子的旋转依赖形式，并被分配参数εω2，D。这一项再现了Renner-Teller分子的自旋-转动能级的两个特征，这两个特征都有实验证明，但不能用以前的有效哈密顿量来解释。这是由于同一弯曲振动能级的不同电子振动分量之间的B值差别很小，以及对于S > 0的分子，自旋-转动参数γ对ν2的强烈依赖性。这些影响已经解释了以前的工人使用微扰理论，但在一个不太一般和更复杂的方式。
An additional term in the effective Hamiltonian for a molecule in a 2S+1Π state subject to a small Renner—Teller effect is derived. It takes the form of a rotational dependence of the Renner—Teller operator and is assigned the parameter εω2,D . This term reproduces two characteristics of the spin—rotational levels of Renner—Teller molecules, both of which are well documented by experimental examples but are not explicable in terms of the previous effective Hamiltonian. These are the small difference between the B values of different vibronic components of the same bending vibrational level and the anomalously strong dependence of the spin—rotation parameter γ on ν2 for molecules with S > 0. These effects have been explained by previous workers using perturbation theory but in a less general and more complicated fashion.