标题： 羰基硫的异构化过渡态的表观特征 显示英文标题

标题： Phenomenological characterization of the isomerization transition state of carbonyl sulfide

摘要： 激发态量子相变的特征在经历异构化反应的三原子系统弯曲自由度中最近已被观察到。 在本工作中，我们使用有效哈密顿量研究了羰基硫的弯曲运动，该哈密顿量处于振动子模型框架的二维极限内，已被证明能够以实验精度准确描述分子弯曲光谱中的临界现象。 为了估计过渡态能量势垒，我们对Baraban等人提出的经验公式进行了改进，[1]，引入了一个新项来捕捉表征准线性分子的非简谐性变化。 显示英文摘要

摘要： Signatures of excited-state quantum phase transitions in the bending degree of freedom of triatomic systems that undergo an isomerization reaction have been recently evinced. In this work, we study the carbonyl sulfide bending motion using an effective Hamiltonian within the two-dimensional limit of the vibron model framework, which has been shown to accurately describe critical phenomena in molecular bending spectra within experimental precision. To estimate the transition state energy barrier, we propose an improvement to a phenomenological formula proposed by Baraban et al.[1] , introducing a new term to capture the anharmonicity change that characterizes quasilinear molecules