| 芘功能化单分子层荧光薄膜荧光猝灭机理的分子动力学研究 |
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| 引用本文： | 孔红艳,屈世显,刘静,何刚.芘功能化单分子层荧光薄膜荧光猝灭机理的分子动力学研究[J].计算机与应用化学,2011,28(9):1139-1142. |
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| 作者姓名： | 孔红艳 屈世显 刘静 何刚 |
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| 作者单位： | 1. 陕西师范大学物理学与信息技术学院,理论与计算物理研究所,陕西,西安,710062
2. 陕西师范大学应用表面与胶体化学教育部重点实验室,陕西,西安,710062 |
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| 基金项目： | 中央高校基本科研专项基金资助项目(2010ZYGX024); 陕西省自然科学基金资助项目(SJ08A12) |
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| 摘 要： | 实验证明,芘功能化单分子层荧光薄膜的荧光能被溶液中的硝基苯显著猝灭,为了找到猝灭的根本原因,本文采用分子动力学模拟方法来研究猝灭的机理.模拟结果表明,该薄膜在真空环境中,一对芘环中心的距离分布在(4～10)A之间,且主要是在5.3 A左右,该距离正适合于形成芘激子.当把硝基苯分子加入到该薄膜中时,我们发现芘分子在这一距...
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| 关 键 词： | 分子动力学模拟 荧光猝灭 径向分布函数 |
Molecular dynamics study on the reason of fluorescence quenching of a pyrene-functionalized fluorescent film |
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| Kong Hongyan,Qu Shixian,Liu Jing,He Gang.Molecular dynamics study on the reason of fluorescence quenching of a pyrene-functionalized fluorescent film[J].Computers and Applied Chemistry,2011,28(9):1139-1142. |
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| Authors: | Kong Hongyan Qu Shixian Liu Jing He Gang |
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| Affiliation: | Kong Hongyan~1,Qu Shixian~1,Liu Jing~2 and He Gang~2 (1.Institute of Theoretical and Computational Physics,College of Physics and Information Technology,Shaanxi Normal University,Xi'an,710062,Shanxi,China) (2.Key Laboratory of Applied Surface and Colloid Chemistry,Ministry of Education,China) |
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| Abstract: | Experimentally,the fluorescent intensity of the pyrene-functionalized fluorescent film is reduced by introducing nitrobenzene.In order to fulfill the functional reason of this quenching effect,a molecular dynamics simulation is adopted in this paper.Result reveals that,in the vacuum environment,the distance between a pair of pyrene ring centers distributes from about 4 A to 10 A,and a large number of distances populate at 5.3 A, which is a suitable distance for excimer emission.The introduction of nitrobenz... |
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| Keywords: | molecular dynamics simulation fluorescence quenching radial distribution function |
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