| 多自由基体系溶液ESR谱的数据分析 |
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| 引用本文： | 贾学庆,吕建明.多自由基体系溶液ESR谱的数据分析[J].波谱学杂志,1997,14(1):77-82. |
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| 作者姓名： | 贾学庆 吕建明 |
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| 作者单位： | 兰州大学应用有机化学国家重点实验室, 兰州 730000 |
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| 摘 要： | 将ER-200D ESR波谱仪ASPECT 3000计算机采集的ESR图谱传输到IBM PC/XT计算机上,通过自行设计的ESR图谱模拟程序ESRSIMU,同屏显示比较,方便、灵活地对多自由基体系溶液ESR一级近似谱进行了模拟,获取了各个自由基的ESR波谱参数和体系中各类自由基的相对浓度等信息.对单个自由基ESR谱的模拟,ESRSIMU的运行速度比BRUKER EPR 3002快近100倍.
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| 关 键 词： | ESR 多自由基体系 模拟 |
| 收稿时间： | 1996-06-03 |
ESR DATA ANALYSIS FOR MULTI-RADICAL SYSTEMS IN SOLUTION |
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| Jia Xueqing, Lu Jianming, Liu Zhongli and Wu Longmin.ESR DATA ANALYSIS FOR MULTI-RADICAL SYSTEMS IN SOLUTION[J].Chinese Journal of Magnetic Resonance,1997,14(1):77-82. |
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| Authors: | Jia Xueqing Lu Jianming Liu Zhongli and Wu Longmin |
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| Institution: | National Laboratory of Applied Organic Chemistry, Lanzhou 730000 |
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| Abstract: | The ESR spectra of liquid samples which are acquired by ASPECT 3000 of Bruker ER-200D ESRspectrometer are transferred to IBM PC/XT. The software ESRSIMU running under DOS is pro-gramed simulating experimental ESR first-order spectrum of either mono-or multi-radical systems insolution. ESRSIMU is a fast, easy-to-use programme which allows both experimental and calculatedESR spectra to be viewed on screen at the same time. The relative concentratioll ratio of paramagneticspecies contained in systems can be evaluated by simulation of multi-radical systems. In comparisonwith Bruker EPR 3002, the simulation of single radical executed by ESRSIMU is ca. 100 times faster. |
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| Keywords: | ESR Multi-Radical system Simulation |
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