| D-A型二噻吩并磷杂茂衍生物分子的双光子吸收性质 |
| |
| 引用本文： | 丁红娟,王传奎. D-A型二噻吩并磷杂茂衍生物分子的双光子吸收性质[J]. 原子与分子物理学报, 2014, 31(6): 545-549 |
| |
| 作者姓名： | 丁红娟 王传奎 |
| |
| 作者单位： | 山东师范大学物理与电子科学学院,山东师范大学物理与电子科学学院 |
| |
| 基金项目： | 国家重点基础研究项目,省市自然科学基金 |
| |
| 摘 要： | 在密度泛函理论理论水平上，采用响应理论方法计算了一系列2,6-donor-acceptor 二噻吩并磷杂茂衍生物分子的单、双光子吸收性质. 理论计算结果表明该系列分子都具有较大的双光子吸收截面，并且分子中心的磷原子无论被氧化还是金属配合，其双光子吸收截面几乎保持不变. 此外，还考虑了溶剂效应对分子光学性质的影响，研究表明分子能级发生了溶剂化蓝移，并且分子的单光子和双光子吸收性质随着溶剂极性表现出非单调变化.
|
| 关 键 词： | 单光子吸收；双光子吸收；响应理论方法 |
| 修稿时间： | 2013-07-07 |
Two-photon absorption properties of D-A dithienophospholes derivatives |
| |
| Ding Hong-Juan and WANG Chuan-kui. Two-photon absorption properties of D-A dithienophospholes derivatives[J]. Journal of Atomic and Molecular Physics, 2014, 31(6): 545-549 |
| |
| Authors: | Ding Hong-Juan and WANG Chuan-kui |
| |
| Abstract: | The analytical response theory is used to explore the one- and two-photon absorption properties of a series of 2,6-donor-acceptor dithienophospholes derivatives. The computational results show that these compounds are good two-photon absorption materials, and the two-photon features of the derivatives are found to remain almost unaltered either by oxidation or complexation. Moreover, the solvent effect is considered, showing that solvatochromic shift is blue shift and the one- and two-photon absorptions appear a nonmonotonic variation with regard to the polarity of solvent. |
| |
| Keywords: | one-photon absorption two-photon absorption response theory method |
|
| 点击此处可从《原子与分子物理学报》浏览原始摘要信息 |
|
点击此处可从《原子与分子物理学报》下载全文 |
