多自由基体系溶液ESR谱的数据分析  

ESR DATA ANALYSIS FOR MULTI-RADICAL SYSTEMS IN SOLUTION

作　　者：贾学庆[1] 吕建明[1] 刘中立[1] 吴隆民[1] 

机构地区：[1]兰州大学应用有机化学国家重点实验室,兰州730000

出　　处：《波谱学杂志》1997年第1期77-82,共6页Chinese Journal of Magnetic Resonance

摘　　要：将ER-200DESR波谱仪ASPECT3000计算机采集的ESR图谱传输到IBMPC／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BRUKEREPR3002快近100倍．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.

关 键 词：ESR 自由基体系 多自由基 

分 类 号：O621.146[理学—有机化学] O482.4[理学—化学]