| 硫氰酸铵溶液的喇曼光谱理论与实验研究 |
| |
| 引用本文： | 叶勇,刘莹,孙松. 硫氰酸铵溶液的喇曼光谱理论与实验研究[J]. 激光技术, 2015, 39(2): 280-283. DOI: 10.7510/jgjs.issn.1001-3806.2015.02.028 |
| |
| 作者姓名： | 叶勇 刘莹 孙松 |
| |
| 作者单位： | 1.江苏师范大学 物理与电子工程学院, 徐州 221116 |
| |
| 基金项目： | 江苏省科技厅科技计划资助项目(BY2012084);江苏省大学生创新训练计划资助项目(12ssjcxzd29) |
| |
| 摘 要： | 为了研究硫氰酸铵溶液的喇曼光谱特征,采用Hartree-Fock方法在6-31G(d)基组水平上对硫氰酸根离子的几何结构进行了优化,并在此基础上计算了该离子的喇曼光谱,实验中测量了不同浓度的硫氰酸铵溶液的喇曼光谱,发现SCN-的浓度和对应的喇曼峰强度间存在线性关系。结果表明,SCN-的喇曼振动基频实验值(752cm-1)与理论值(740cm-1)的绝对偏差和相对误差都较小,而另一喇曼特征区域则出现不同程度的包络。该研究结果将有助于工业上硫氰酸铵溶液含量的测试。
|
| 关 键 词： | 光谱学 喇曼光谱 Hartree-Fock方法 硫氰根离子 振动基频 |
| 收稿时间： | 2014-02-22 |
Theoretical and experimental study on Raman spectra of ammonium thiocyanate solution |
| |
| YE Yong;LIU Ying;SUN Song. Theoretical and experimental study on Raman spectra of ammonium thiocyanate solution[J]. Laser Technology, 2015, 39(2): 280-283. DOI: 10.7510/jgjs.issn.1001-3806.2015.02.028 |
| |
| Authors: | YE Yong LIU Ying SUN Song |
| |
| Affiliation: | YE Yong;LIU Ying;SUN Song;College of Physics & Electronic Engineering,Jiangsu Normal University; |
| |
| Abstract: | In order to study Raman spectral characteristics of ammonium thiocyanate solution,geometry of SCN- was optimized based on 6-31G(d) basis set and its Raman spectra was calculated using Hartree-Fock (H-F)method. The Raman spectra of ammonium thiocyanate solution with different concentrations were measured experimentally. It was found that the relationship between the concentration of SCN- and the corresponding Raman peakintensity waslinear.The results show that absolute error and relative error of the experiment result(752cm-1)and the theoretical calculation (740cm-1) of Raman vibrationalfrequency of SCN- is a little. However,envelopes appear in another Raman region.The resultsprovide a help for measurement of ammonium thiocyanate solution withdifferent concentrations inindustry. |
| |
| Keywords: | spectroscopy Raman spectroscopy H F method SCN- vibrational frequency |
| 本文献已被 CNKI 等数据库收录！ |
| 点击此处可从《激光技术》浏览原始摘要信息 |
|
点击此处可从《激光技术》下载免费的PDF全文 |
