|
|||||
|
|
| HOCl分子高激发振动态的动力学势研究 | |
| 引用本文： | 王爱星,刘义保,房超.HOCl分子高激发振动态的动力学势研究[J].物理学报,2012,61(5):53102-053102. |
| 作者姓名： | 王爱星 刘义保 房超 |
| 作者单位： | 1. 东华理工大学核技术应用教育部工程研究中心,南昌330013／东华理工大学核工程技术学院,南昌330013／清华大学物理系,北京100084 2. 东华理工大学核技术应用教育部工程研究中心,南昌330013／东华理工大学核工程技术学院,南昌330013 3. 清华大学核能与新能源技术研究院,北京,100084 |
| 基金项目： | 教育部科学技术研究重点项目(批准号: 208067)、江西省自然科学基金(批准号: 2009GZW0001)和国家自然科学基金(批准号: 11104156)资助的课题. |
| 摘 要： | 通过研究HOCl分子高激发振动态的动力学势, 明确了该体系的动力学特点. 研究表明, 在O-Cl伸缩模式和H-O-Cl弯曲模式间存在2:1 Fermi共振的动力学模型下, H-O伸缩振动模式对于上述两种振动模式的动力学势有显著影响, 且这种影响随Polyad数呈现有规律的变化. 作为定量研究, 还研究了Polyad数为24时该分子体系的动力学势与各能级的相空间轨迹. 分析表明, 相空间轨迹与动力学势中的动力学不动点有很好的对应关系. 此外, 将该Polyad数下的动力学势中的能级按照相空间轨迹的作用量积分进行分类, 明确了这些能级所处的量子环境. |
| 关 键 词： | HOCl分子 高激发振动态 动力学势 相空间轨迹 |
| 收稿时间： | 6/9/2011 12:00:00 AM |
| 修稿时间： | 7/5/2011 12:00:00 AM |
The study of dynamical potentials of highly excited vibrational states of HOCl |
|
| Wang Ai-Xing,Liu Yi-Bao and Fang Chao.The study of dynamical potentials of highly excited vibrational states of HOCl[J].Acta Physica Sinica,2012,61(5):53102-053102. | |
| Authors: | Wang Ai-Xing Liu Yi-Bao and Fang Chao |
| Institution: | Engineering Research Center of Nuclear Technology Application, East China Institute of Technology, Ministry of Education, Nanchang 330013, China; College of Nuclear Engineering Technology, East China Institute of Technology, Nanchang 330013, China; Depart;Engineering Research Center of Nuclear Technology Application, East China Institute of Technology, Ministry of Education, Nanchang 330013, China; College of Nuclear Engineering Technology, East China Institute of Technology, Nanchang 330013, China;Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China |
| Abstract: | The dynamical potentials of highly excited vibrational states of HOCl in the bending and O-Cl stretching coordinates with anharmonicity and Fermi coupling are studied. The result shows that H-O stretching vibration mode has significantly different effects on O-Cl stretching mode and H-O-Cl bending mode under different polyad numbers. The dynamical potentials and the corresponding phase space trajectories are studied in the case that the polyad number is 24 and it is found that the quantal vibrational energy levels could be classified by the fixed points of dynamical potentials and the quantum environments could be identified by the numerical values of action integrals. |
| Keywords: | HOCl highly excited vibrational state dynamical potential phase space trajectory |
| 本文献已被 CNKI 万方数据 等数据库收录！ | |
| 点击此处可从《物理学报》浏览原始摘要信息 | |
| 点击此处可从《物理学报》下载免费的PDF全文 | |